smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001438300418 1090780454 /nfs/dbraw/zinc/78/04/54/1090780454.db2.gz PFFVLZYNWCXROA-XOKHGSTOSA-N 2 0 346.450 2.022 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001448526688 1093557813 /nfs/dbraw/zinc/55/78/13/1093557813.db2.gz YLTDWHZLFYKPHW-CKEIUWERSA-N 2 0 345.890 2.436 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001449075535 1094089607 /nfs/dbraw/zinc/08/96/07/1094089607.db2.gz GUVLZABGSHDBSR-OAHLLOKOSA-N 2 0 327.900 2.442 10 30 EEEERP C#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001480187502 1099781019 /nfs/dbraw/zinc/78/10/19/1099781019.db2.gz CURMBPIXQOIKIL-MOPGFXCFSA-N 2 0 333.520 2.445 10 30 EEEERP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001496412740 1101005173 /nfs/dbraw/zinc/00/51/73/1101005173.db2.gz CQFLFCWIHYJZEK-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001496076814 1102016097 /nfs/dbraw/zinc/01/60/97/1102016097.db2.gz FOOLWIUCTUHYNC-KBRIMQKVSA-N 2 0 337.427 2.022 10 30 EEEERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001447883349 1103510867 /nfs/dbraw/zinc/51/08/67/1103510867.db2.gz JZVMLHPKZLPPOT-HOTGVXAUSA-N 2 0 342.487 2.415 10 30 EEEERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001480676176 1106863627 /nfs/dbraw/zinc/86/36/27/1106863627.db2.gz LBPMAEIXNCAQLQ-QGZVFWFLSA-N 2 0 342.487 2.228 10 30 EEEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001500429018 1112824581 /nfs/dbraw/zinc/82/45/81/1112824581.db2.gz TZXSEIZCXLPOEC-INIZCTEOSA-N 2 0 327.488 2.461 10 30 EEEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCOCC1 ZINC001500589418 1112959565 /nfs/dbraw/zinc/95/95/65/1112959565.db2.gz BJBRSQORLJNRAW-QGZVFWFLSA-N 2 0 337.508 2.082 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CCCC=C)C2)CC1 ZINC001501091742 1113195978 /nfs/dbraw/zinc/19/59/78/1113195978.db2.gz QAWLBOPYWFIDTR-PKOBYXMFSA-N 2 0 331.504 2.124 10 30 EEEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001507027745 1115065432 /nfs/dbraw/zinc/06/54/32/1115065432.db2.gz LFCJLYSBWNXAOF-APWZRJJASA-N 2 0 337.483 2.049 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC(=C)C)[C@@H](C)C2)CC1 ZINC001568369778 1124442060 /nfs/dbraw/zinc/44/20/60/1124442060.db2.gz VZVYVBWUQLFLLP-PKOBYXMFSA-N 2 0 331.504 2.124 10 30 EEEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568919905 1124947382 /nfs/dbraw/zinc/94/73/82/1124947382.db2.gz LAIIQHUJSLLVMA-JFDDCEBESA-N 2 0 331.863 2.213 10 30 EEEERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)cc1C ZINC000118951916 279303077 /nfs/dbraw/zinc/30/30/77/279303077.db2.gz CQJGLPZHKJVGTC-GOSISDBHSA-N 2 0 342.487 2.355 10 30 EEEERP C[NH+](C)[C@H](CNC(=O)CN1CCC(C)(C#N)CC1)c1ccccc1 ZINC000274689757 464752866 /nfs/dbraw/zinc/75/28/66/464752866.db2.gz ZULRVNYRNFSMKG-QGZVFWFLSA-N 2 0 328.460 2.031 10 30 EEEERP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366535898 465786886 /nfs/dbraw/zinc/78/68/86/465786886.db2.gz PSAPWWOTWNRTAT-NSPNGIHDSA-N 2 0 346.519 2.333 10 30 EEEERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000610989565 469132781 /nfs/dbraw/zinc/13/27/81/469132781.db2.gz OFXNUVOKBBVRNN-KPFFTGBYSA-N 2 0 345.487 2.154 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662449341 472112900 /nfs/dbraw/zinc/11/29/00/472112900.db2.gz YIDVIODQMVPNLF-QGZVFWFLSA-N 2 0 327.472 2.445 10 30 EEEERP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001266373844 1176441501 /nfs/dbraw/zinc/44/15/01/1176441501.db2.gz MMIBLPOJYRXGNH-QGZVFWFLSA-N 2 0 331.504 2.243 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266469155 1176596457 /nfs/dbraw/zinc/59/64/57/1176596457.db2.gz GCJLDWOOYNMWAR-RTBURBONSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CC2CCC2)CC1 ZINC001671487957 1176831927 /nfs/dbraw/zinc/83/19/27/1176831927.db2.gz XJSFMUAWHKTITJ-IBGZPJMESA-N 2 0 331.504 2.197 10 30 EEEERP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001266882184 1177696190 /nfs/dbraw/zinc/69/61/90/1177696190.db2.gz DFMVQEAGNKNQQA-RBUKOAKNSA-N 2 0 340.471 2.123 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC/C=C/CCC)C[C@H]32)CC1 ZINC001266906128 1177772537 /nfs/dbraw/zinc/77/25/37/1177772537.db2.gz IIMKGTKGVXLYJM-JEWYTVGHSA-N 2 0 343.515 2.124 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)Cc2ccccc2C)CC1 ZINC001481019593 1179510338 /nfs/dbraw/zinc/51/03/38/1179510338.db2.gz YEPLSTAYDFPWDP-UHFFFAOYSA-N 2 0 341.499 2.278 10 30 EEEERP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267618052 1179951994 /nfs/dbraw/zinc/95/19/94/1179951994.db2.gz ORDOPZRLKJEWTM-MSOLQXFVSA-N 2 0 337.508 2.033 10 30 EEEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001481334898 1181059907 /nfs/dbraw/zinc/05/99/07/1181059907.db2.gz BECLEYQNZYVSKU-MJGOQNOKSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCCC1 ZINC001268039149 1181390886 /nfs/dbraw/zinc/39/08/86/1181390886.db2.gz VRWSEHBQJRLTFU-GOSISDBHSA-N 2 0 331.504 2.435 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C)CC1 ZINC001268259729 1182094918 /nfs/dbraw/zinc/09/49/18/1182094918.db2.gz PXBFOSBEIDMXTI-UHFFFAOYSA-N 2 0 341.499 2.230 10 30 EEEERP CC#CC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@H]1C ZINC001481963126 1183037571 /nfs/dbraw/zinc/03/75/71/1183037571.db2.gz SRUWKURMFSISFV-QUCCMNQESA-N 2 0 333.520 2.396 10 30 EEEERP C#CCC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001482051597 1183246218 /nfs/dbraw/zinc/24/62/18/1183246218.db2.gz HZYSSVUBFZXDRB-IBGZPJMESA-N 2 0 333.520 2.348 10 30 EEEERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001268650821 1183579877 /nfs/dbraw/zinc/57/98/77/1183579877.db2.gz AFMVDVVAXVTQSJ-RHSMWYFYSA-N 2 0 335.879 2.126 10 30 EEEERP CC[N@H+](C)CCC(=O)N(C)CCC[NH2+]CC#Cc1ccccc1Cl ZINC001268902183 1183800325 /nfs/dbraw/zinc/80/03/25/1183800325.db2.gz HCAASVBNNDINPS-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP CC#CC[NH+]1CCC(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001270144856 1184882270 /nfs/dbraw/zinc/88/22/70/1184882270.db2.gz YFOCTQXBSDKOLT-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001271715844 1186389749 /nfs/dbraw/zinc/38/97/49/1186389749.db2.gz QDRPZAZIQFTMQV-DNVCBOLYSA-N 2 0 338.455 2.496 10 30 EEEERP C=C(Br)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001482537418 1186589306 /nfs/dbraw/zinc/58/93/06/1186589306.db2.gz CHLQGHOKDPOXIA-KGLIPLIRSA-N 2 0 346.313 2.110 10 30 EEEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001670940890 1193530191 /nfs/dbraw/zinc/53/01/91/1193530191.db2.gz XBCOTFDRTZOLAK-AYHJJNSGSA-N 2 0 333.520 2.489 10 30 EEEERP C=C(Br)C[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001691607954 1188310087 /nfs/dbraw/zinc/31/00/87/1188310087.db2.gz GEKDFNHJDLBCAL-UHFFFAOYSA-N 2 0 346.313 2.209 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001272821857 1193561397 /nfs/dbraw/zinc/56/13/97/1193561397.db2.gz CPFBYONICLBBOB-LPHOPBHVSA-N 2 0 342.487 2.417 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001409342227 1189547650 /nfs/dbraw/zinc/54/76/50/1189547650.db2.gz BHSHWJUGFRYNSH-QWHCGFSZSA-N 2 0 348.329 2.356 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483271244 1190294732 /nfs/dbraw/zinc/29/47/32/1190294732.db2.gz RGHKWQUUSSERLL-OALUTQOASA-N 2 0 341.499 2.397 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001486133399 1193690496 /nfs/dbraw/zinc/69/04/96/1193690496.db2.gz BUKIUBIQRVGZOL-RHSMWYFYSA-N 2 0 346.450 2.117 10 30 EEEERP C#CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CC(=C)C)CC1 ZINC001483989451 1191144665 /nfs/dbraw/zinc/14/46/65/1191144665.db2.gz KCWUJJSYPVLFMP-HDICACEKSA-N 2 0 331.504 2.362 10 30 EEEERP CN(CCC[N@H+](C)CC#Cc1cccc(Cl)c1)C(=O)CC[NH+](C)C ZINC001484757799 1191511653 /nfs/dbraw/zinc/51/16/53/1191511653.db2.gz UMPOLHJEUGSVFD-UHFFFAOYSA-N 2 0 349.906 2.424 10 30 EEEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001486182852 1193701493 /nfs/dbraw/zinc/70/14/93/1193701493.db2.gz AEQOXBULHZTBLG-SJLPKXTDSA-N 2 0 337.508 2.033 10 30 EEEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)(C)C ZINC001486412398 1193921281 /nfs/dbraw/zinc/92/12/81/1193921281.db2.gz WFLHMIIRGXYHHT-BEFAXECRSA-N 2 0 339.499 2.343 10 30 EEEERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001273018729 1194324984 /nfs/dbraw/zinc/32/49/84/1194324984.db2.gz NRGHJBNNUPIDEQ-GUYCJALGSA-N 2 0 334.439 2.022 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC=C(C)C)C2)CC1 ZINC001691681021 1197485297 /nfs/dbraw/zinc/48/52/97/1197485297.db2.gz PSNXZMLEASYRFK-PKOBYXMFSA-N 2 0 331.504 2.172 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)CC[NH+]1CCCCC1 ZINC001273203120 1197508422 /nfs/dbraw/zinc/50/84/22/1197508422.db2.gz GZCRMHJYDZYCBF-HNNXBMFYSA-N 2 0 348.516 2.480 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001410232511 1197622036 /nfs/dbraw/zinc/62/20/36/1197622036.db2.gz ZSJQGAAGLNIXQG-YHUYYLMFSA-N 2 0 327.900 2.344 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001274106049 1204373139 /nfs/dbraw/zinc/37/31/39/1204373139.db2.gz UWWDWELLIVNJBV-PHXNAMCJSA-N 2 0 340.471 2.195 10 30 EEEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1Cl ZINC000305082762 1216144740 /nfs/dbraw/zinc/14/47/40/1216144740.db2.gz MWLAFVHGBUSGIP-AWEZNQCLSA-N 2 0 338.883 2.280 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC/C=C/CCC)C2)CC1 ZINC001490958390 1258509902 /nfs/dbraw/zinc/50/99/02/1258509902.db2.gz XLCNRGVRRRZKHF-OMNRABITSA-N 2 0 331.504 2.315 10 30 EEEERP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001490594681 1291495967 /nfs/dbraw/zinc/49/59/67/1291495967.db2.gz HUBJBNVCDCAEFT-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001277393979 1302823139 /nfs/dbraw/zinc/82/31/39/1302823139.db2.gz VZKOWKNHIIZOQQ-KRWDZBQOSA-N 2 0 331.504 2.055 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](CC#Cc2ccccc2)CC1 ZINC001278093899 1305921898 /nfs/dbraw/zinc/92/18/98/1305921898.db2.gz CMOGYULHJYONHJ-UHFFFAOYSA-N 2 0 341.499 2.349 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001278609425 1317356403 /nfs/dbraw/zinc/35/64/03/1317356403.db2.gz ZCWWPXALIBXFLT-MJGOQNOKSA-N 2 0 331.504 2.006 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001265283532 1323033952 /nfs/dbraw/zinc/03/39/52/1323033952.db2.gz GAXKJFLIBZZVGO-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001265378280 1323107787 /nfs/dbraw/zinc/10/77/87/1323107787.db2.gz JCFKZFRCMKYJHP-WOJBJXKFSA-N 2 0 341.499 2.109 10 30 EEEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265558312 1323219346 /nfs/dbraw/zinc/21/93/46/1323219346.db2.gz UYHZBIFUHWQNKM-DAYGRLMNSA-N 2 0 325.472 2.402 10 30 EEEERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC#Cc1ccccc1Cl ZINC001265815707 1323396657 /nfs/dbraw/zinc/39/66/57/1323396657.db2.gz FUOXOBRHHRCNRM-HNNXBMFYSA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001265869934 1323443489 /nfs/dbraw/zinc/44/34/89/1323443489.db2.gz GEIXMAOKWKBLGC-SFHVURJKSA-N 2 0 341.499 2.243 10 30 EEEERP C#CC[N@H+]1CCc2c(CNC(=O)CC[NH+]3CCCCC3)cccc2C1 ZINC001280427232 1324219305 /nfs/dbraw/zinc/21/93/05/1324219305.db2.gz WVPVKLMUKOADFN-UHFFFAOYSA-N 2 0 339.483 2.170 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001283260185 1325976348 /nfs/dbraw/zinc/97/63/48/1325976348.db2.gz MEYMWEVHWXBREZ-LPHOPBHVSA-N 2 0 342.487 2.275 10 30 EEEERP C[C@@H]1[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)CCN1C(=O)CC[NH+](C)C ZINC001283898281 1326308130 /nfs/dbraw/zinc/30/81/30/1326308130.db2.gz IILZDURFFKNPLX-QAPCUYQASA-N 2 0 347.890 2.222 10 30 EEEERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001317280112 1332163502 /nfs/dbraw/zinc/16/35/02/1332163502.db2.gz PESGTNRHCUFRDF-QAPCUYQASA-N 2 0 349.906 2.372 10 30 EEEERP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001317437096 1332241015 /nfs/dbraw/zinc/24/10/15/1332241015.db2.gz UATTXRRGIIYBQA-HNNXBMFYSA-N 2 0 348.516 2.432 10 30 EEEERP CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)CC1CC[NH+](C)CC1 ZINC001320861570 1332966409 /nfs/dbraw/zinc/96/64/09/1332966409.db2.gz AYFSENLBYLONCW-UHFFFAOYSA-N 2 0 342.487 2.228 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1CC ZINC001323167946 1333402317 /nfs/dbraw/zinc/40/23/17/1333402317.db2.gz KFODOEFFAMQQET-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001323816356 1333546603 /nfs/dbraw/zinc/54/66/03/1333546603.db2.gz OYIZHNPNUZLGBC-HXUWFJFHSA-N 2 0 331.504 2.200 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001324224810 1333638267 /nfs/dbraw/zinc/63/82/67/1333638267.db2.gz FEMNCHODHQLAGO-LJQANCHMSA-N 2 0 327.472 2.008 10 30 EEEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001324936969 1333791380 /nfs/dbraw/zinc/79/13/80/1333791380.db2.gz QWLWTZNJPRUJRT-NQIIRXRSSA-N 2 0 345.531 2.493 10 30 EEEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001326488857 1334103248 /nfs/dbraw/zinc/10/32/48/1334103248.db2.gz APNPWXSNTACRAU-APWZRJJASA-N 2 0 327.472 2.461 10 30 EEEERP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)CC1 ZINC001326586193 1334120236 /nfs/dbraw/zinc/12/02/36/1334120236.db2.gz SSCJAGJSPVKPDI-INIZCTEOSA-N 2 0 325.472 2.167 10 30 EEEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001328686669 1334499353 /nfs/dbraw/zinc/49/93/53/1334499353.db2.gz LMKGNMPMWKSXTF-VAMGGRTRSA-N 2 0 339.483 2.276 10 30 EEEERP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001330340342 1334826209 /nfs/dbraw/zinc/82/62/09/1334826209.db2.gz PMTXXSRGRZRKLO-GGXPGOJBSA-N 2 0 337.483 2.069 10 30 EEEERP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001332007081 1335703541 /nfs/dbraw/zinc/70/35/41/1335703541.db2.gz HCDHXBYJMGEWBO-HUUCEWRRSA-N 2 0 325.416 2.036 10 30 EEEERP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001342917826 1337323860 /nfs/dbraw/zinc/32/38/60/1337323860.db2.gz CIODGHUXKPRBET-IAGOWNOFSA-N 2 0 346.523 2.194 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC001571490536 1343218498 /nfs/dbraw/zinc/21/84/98/1343218498.db2.gz FSTGULUAMBKIEN-QFBILLFUSA-N 2 0 345.462 2.098 10 30 EEEERP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001676454282 1357152820 /nfs/dbraw/zinc/15/28/20/1357152820.db2.gz DVELSMIZJSDSJY-INIZCTEOSA-N 2 0 349.906 2.470 10 30 EEEERP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001676888998 1357234058 /nfs/dbraw/zinc/23/40/58/1357234058.db2.gz XMNJQNOJCJSLRC-SJLPKXTDSA-N 2 0 337.508 2.033 10 30 EEEERP C=CCc1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc(OC)c1O ZINC001656025010 1354193921 /nfs/dbraw/zinc/19/39/21/1354193921.db2.gz VDNUMZIODSBMFJ-UHFFFAOYSA-N 2 0 347.503 2.245 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)CC#Cc1ccc(F)cc1 ZINC001663180963 1354931968 /nfs/dbraw/zinc/93/19/68/1354931968.db2.gz UHYNLUSRCSOGJV-LJQANCHMSA-N 2 0 345.462 2.098 10 30 EEEERP C[NH+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC001666786952 1355590597 /nfs/dbraw/zinc/59/05/97/1355590597.db2.gz JHEOKYFXLFEANH-UHFFFAOYSA-N 2 0 327.472 2.008 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCCCC)CC1 ZINC001671504117 1356352040 /nfs/dbraw/zinc/35/20/40/1356352040.db2.gz OOSPMDVGTQWPHN-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001671597991 1356370356 /nfs/dbraw/zinc/37/03/56/1356370356.db2.gz FCNYBCOJLSWGMG-HXUWFJFHSA-N 2 0 333.520 2.446 10 30 EEEERP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001698945407 1405175753 /nfs/dbraw/zinc/17/57/53/1405175753.db2.gz KMOOWPHUBUMJDT-BEFAXECRSA-N 2 0 338.455 2.496 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(C)C)CC2(C)C)CC1 ZINC000941236855 780223514 /nfs/dbraw/zinc/22/35/14/780223514.db2.gz BTHQSFNAPUZJRV-GOSISDBHSA-N 2 0 333.520 2.204 10 30 EEEERP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC000923494427 789665983 /nfs/dbraw/zinc/66/59/83/789665983.db2.gz XKBOMNPPHCCXOY-RYQLBKOJSA-N 2 0 348.487 2.080 10 30 EEEERP CCO[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+](C)C ZINC000922754043 801818656 /nfs/dbraw/zinc/81/86/56/801818656.db2.gz MCBSGWMOQMGLDZ-FQEVSTJZSA-N 2 0 344.503 2.079 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H](C)[NH2+]CCC2CC2)CC1 ZINC001566533163 1125702771 /nfs/dbraw/zinc/70/27/71/1125702771.db2.gz CWEKRKANZUAEPT-PXNSSMCTSA-N 2 0 345.531 2.491 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001437338242 1089530939 /nfs/dbraw/zinc/53/09/39/1089530939.db2.gz WBLCVXITORFWAX-MSOLQXFVSA-N 2 0 328.460 2.027 10 30 EEEERP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001438663351 1091151997 /nfs/dbraw/zinc/15/19/97/1091151997.db2.gz JLSYZABCNLBFCT-GJZGRUSLSA-N 2 0 348.516 2.431 10 30 EEEERP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001438663354 1091152289 /nfs/dbraw/zinc/15/22/89/1091152289.db2.gz JLSYZABCNLBFCT-LSDHHAIUSA-N 2 0 348.516 2.431 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001445652346 1091440613 /nfs/dbraw/zinc/44/06/13/1091440613.db2.gz BVYGHZPAXZFIJS-LPHOPBHVSA-N 2 0 342.487 2.273 10 30 EEEERP C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001439257547 1091907257 /nfs/dbraw/zinc/90/72/57/1091907257.db2.gz LYWWJQSLZHUSRF-AWEZNQCLSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001440353547 1093508742 /nfs/dbraw/zinc/50/87/42/1093508742.db2.gz HJXLCMWPGKXHDA-ZQIUZPCESA-N 2 0 345.890 2.436 10 30 EEEERP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001441311281 1094763768 /nfs/dbraw/zinc/76/37/68/1094763768.db2.gz XRGRJYBNDHTRAG-HOTGVXAUSA-N 2 0 327.900 2.394 10 30 EEEERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001441542653 1095263911 /nfs/dbraw/zinc/26/39/11/1095263911.db2.gz CUYBDSKVAAREAY-KBXCAEBGSA-N 2 0 346.450 2.118 10 30 EEEERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001480367852 1100143622 /nfs/dbraw/zinc/14/36/22/1100143622.db2.gz QLNHQENLMNQQDP-HXUWFJFHSA-N 2 0 339.483 2.105 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001495507051 1101219459 /nfs/dbraw/zinc/21/94/59/1101219459.db2.gz CYKVXNHTROUEMW-CALCHBBNSA-N 2 0 327.472 2.289 10 30 EEEERP CC#CC[N@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001494215039 1103710614 /nfs/dbraw/zinc/71/06/14/1103710614.db2.gz VJBFZWUCVXBXIL-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001497994036 1106754311 /nfs/dbraw/zinc/75/43/11/1106754311.db2.gz VWLMMWYMIPUPID-RDTXWAMCSA-N 2 0 346.450 2.166 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC/C=C\CC)C2)CC1 ZINC001480679491 1106869688 /nfs/dbraw/zinc/86/96/88/1106869688.db2.gz AALLCFPTNIOJJI-OOFWQKGWSA-N 2 0 331.504 2.126 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCN1CC#Cc1ccccc1 ZINC001498998711 1108434738 /nfs/dbraw/zinc/43/47/38/1108434738.db2.gz QNAMTVCHPXCXMN-VQTJNVASSA-N 2 0 339.483 2.103 10 30 EEEERP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC2)C1 ZINC001499477974 1112308027 /nfs/dbraw/zinc/30/80/27/1112308027.db2.gz KXVZQDBYIIHIRA-QZTJIDSGSA-N 2 0 339.499 2.413 10 30 EEEERP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001500505642 1112897040 /nfs/dbraw/zinc/89/70/40/1112897040.db2.gz USCFMFVUELWUAF-ICSRJNTNSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001501718545 1113447794 /nfs/dbraw/zinc/44/77/94/1113447794.db2.gz MXBFFLVVIDOUSO-BZUAXINKSA-N 2 0 327.900 2.345 10 30 EEEERP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001506855137 1114919270 /nfs/dbraw/zinc/91/92/70/1114919270.db2.gz HIWVGVAYUVGQNR-RCCFBDPRSA-N 2 0 345.531 2.489 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001507363534 1115223616 /nfs/dbraw/zinc/22/36/16/1115223616.db2.gz LXTOHTDLCLUUTC-BZUAXINKSA-N 2 0 327.900 2.297 10 30 EEEERP C=CCOCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001568000947 1124224181 /nfs/dbraw/zinc/22/41/81/1124224181.db2.gz MCYFJLBCURYVDN-ROUUACIJSA-N 2 0 349.519 2.225 10 30 EEEERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cn2)CC1 ZINC000447528613 242284774 /nfs/dbraw/zinc/28/47/74/242284774.db2.gz ICNCIZWDNGOOJU-SJLPKXTDSA-N 2 0 327.476 2.395 10 30 EEEERP N#Cc1ccc(N2CCC([NH2+]CCCC[NH+]3CCOCC3)CC2)cc1 ZINC000285595056 268107653 /nfs/dbraw/zinc/10/76/53/268107653.db2.gz JIXGXYJLIJRNJJ-UHFFFAOYSA-N 2 0 342.487 2.229 10 30 EEEERP CC(C)(CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000594440637 468589122 /nfs/dbraw/zinc/58/91/22/468589122.db2.gz HGBKOJXRUYYJNO-SFHVURJKSA-N 2 0 342.487 2.351 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000594444899 468590503 /nfs/dbraw/zinc/59/05/03/468590503.db2.gz ZVUSAJCSUHMFRG-CVEARBPZSA-N 2 0 334.851 2.224 10 30 EEEERP N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000600723256 468636480 /nfs/dbraw/zinc/63/64/80/468636480.db2.gz BRKYJALOSRGHRX-GOSISDBHSA-N 2 0 343.471 2.306 10 30 EEEERP N#CC1(C[C@@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000600731393 468639436 /nfs/dbraw/zinc/63/94/36/468639436.db2.gz WQRHPEMNKKDLLM-GOSISDBHSA-N 2 0 335.492 2.054 10 30 EEEERP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000739860898 578070451 /nfs/dbraw/zinc/07/04/51/578070451.db2.gz YAOYHPZKEFGQLB-UHFFFAOYSA-N 2 0 338.459 2.356 10 30 EEEERP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)Cc1ccccc1 ZINC000066242217 681444534 /nfs/dbraw/zinc/44/45/34/681444534.db2.gz GFVQAJWMTCEVBJ-QZTJIDSGSA-N 2 0 332.492 2.023 10 30 EEEERP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)COC2CC[NH+](C)CC2)cc1 ZINC001272701023 1191959652 /nfs/dbraw/zinc/95/96/52/1191959652.db2.gz RTNQVKDPKBMPPH-MRXNPFEDSA-N 2 0 345.487 2.250 10 30 EEEERP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001266373843 1176441794 /nfs/dbraw/zinc/44/17/94/1176441794.db2.gz MMIBLPOJYRXGNH-KRWDZBQOSA-N 2 0 331.504 2.243 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccc(CC)cc2)CC1 ZINC001772517039 1176567968 /nfs/dbraw/zinc/56/79/68/1176567968.db2.gz JEUGUZRBCKIGNB-KRWDZBQOSA-N 2 0 341.499 2.189 10 30 EEEERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1 ZINC001266960293 1177910661 /nfs/dbraw/zinc/91/06/61/1177910661.db2.gz HNHBSOMZNGQFQM-QGZVFWFLSA-N 2 0 327.472 2.007 10 30 EEEERP C=CC[NH2+]CCc1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001267098098 1178235299 /nfs/dbraw/zinc/23/52/99/1178235299.db2.gz DOTJTXGYRQSSJG-IRXDYDNUSA-N 2 0 329.488 2.494 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC([C@H](C)[NH2+]CCC3CC3)CC2)CC1 ZINC001481343092 1181075544 /nfs/dbraw/zinc/07/55/44/1181075544.db2.gz LXNWRVXKYJYBJW-KRWDZBQOSA-N 2 0 345.531 2.348 10 30 EEEERP C#CC[NH2+][C@@H](CNC(=O)CN(C)Cc1ccccc1)c1ccccc1 ZINC001481374469 1181154061 /nfs/dbraw/zinc/15/40/61/1181154061.db2.gz PWATXKZGLUSAOU-FQEVSTJZSA-N 2 0 335.451 2.199 10 30 EEEERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001268094981 1181734596 /nfs/dbraw/zinc/73/45/96/1181734596.db2.gz QUQPNQCTZPPOHW-YJBOKZPZSA-N 2 0 349.906 2.468 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001268153037 1181843538 /nfs/dbraw/zinc/84/35/38/1181843538.db2.gz BSYZWKYRHLQJJT-SJORKVTESA-N 2 0 325.472 2.050 10 30 EEEERP C[C@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268366301 1182341755 /nfs/dbraw/zinc/34/17/55/1182341755.db2.gz MMXZXOZJNCUDLS-HBUWYVDXSA-N 2 0 346.450 2.022 10 30 EEEERP CC#CC[NH2+]C[C@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@H]1C ZINC001481963127 1183037756 /nfs/dbraw/zinc/03/77/56/1183037756.db2.gz SRUWKURMFSISFV-UYAOXDASSA-N 2 0 333.520 2.396 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001268630916 1183556437 /nfs/dbraw/zinc/55/64/37/1183556437.db2.gz SMLLBVJYBWPUPS-HMECNJMJSA-N 2 0 340.471 2.195 10 30 EEEERP C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001268695212 1183617329 /nfs/dbraw/zinc/61/73/29/1183617329.db2.gz RKLRNSJSYYYVQU-CABCVRRESA-N 2 0 327.432 2.330 10 30 EEEERP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001270042493 1184808000 /nfs/dbraw/zinc/80/80/00/1184808000.db2.gz QFGSIRNHCWJICF-XSLAGTTESA-N 2 0 337.508 2.079 10 30 EEEERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC#Cc3ccccc3)CCCC2)C1 ZINC001270818647 1185419313 /nfs/dbraw/zinc/41/93/13/1185419313.db2.gz ACSQUXASQNBMMM-IBGZPJMESA-N 2 0 339.483 2.008 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482842104 1187761857 /nfs/dbraw/zinc/76/18/57/1187761857.db2.gz UXWZTULEPSYDAH-QFBILLFUSA-N 2 0 342.487 2.417 10 30 EEEERP C#CC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](CCC)CCC)CC[C@H]21 ZINC001272223730 1188380015 /nfs/dbraw/zinc/38/00/15/1188380015.db2.gz JABQHNZVDNCTOG-RBUKOAKNSA-N 2 0 333.520 2.445 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001272821860 1193561377 /nfs/dbraw/zinc/56/13/77/1193561377.db2.gz CPFBYONICLBBOB-VQIMIIECSA-N 2 0 342.487 2.417 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001483096196 1188470405 /nfs/dbraw/zinc/47/04/05/1188470405.db2.gz AGWMTGVHGFMYJV-JTHGQSKGSA-N 2 0 339.483 2.355 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1 ZINC001483097891 1188473333 /nfs/dbraw/zinc/47/33/33/1188473333.db2.gz NIANLDAJLGMSNS-NMBNSIPYSA-N 2 0 340.471 2.193 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001483172297 1189023680 /nfs/dbraw/zinc/02/36/80/1189023680.db2.gz LYWWJQSLZHUSRF-CQSZACIVSA-N 2 0 346.450 2.024 10 30 EEEERP C=CC[NH+]1CCc2c(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001272917337 1193603304 /nfs/dbraw/zinc/60/33/04/1193603304.db2.gz UAWPIPCIWHPEPJ-INIZCTEOSA-N 2 0 327.472 2.189 10 30 EEEERP C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001409477362 1189811621 /nfs/dbraw/zinc/81/16/21/1189811621.db2.gz SPSLSTBDXJLDEY-SJORKVTESA-N 2 0 342.487 2.417 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]CC2CCCCC2)CC1 ZINC001483512304 1190525653 /nfs/dbraw/zinc/52/56/53/1190525653.db2.gz VEXCNZMVKFPITJ-UHFFFAOYSA-N 2 0 333.520 2.350 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001272608675 1190917920 /nfs/dbraw/zinc/91/79/20/1190917920.db2.gz SHKLAVWBBYRFPW-LJQANCHMSA-N 2 0 342.487 2.228 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001483793301 1191033088 /nfs/dbraw/zinc/03/30/88/1191033088.db2.gz ANHTYDXJAKUZRW-IYBDPMFKSA-N 2 0 340.471 2.169 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001483915683 1191115008 /nfs/dbraw/zinc/11/50/08/1191115008.db2.gz HPQRLPRSHXKCFV-IRXDYDNUSA-N 2 0 337.508 2.033 10 30 EEEERP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001483986661 1191143306 /nfs/dbraw/zinc/14/33/06/1191143306.db2.gz NNSOZBATNCBPPD-UHFFFAOYSA-N 2 0 333.520 2.301 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CCO1 ZINC001484700451 1191472150 /nfs/dbraw/zinc/47/21/50/1191472150.db2.gz MKZDXKWQBNELRX-QGZVFWFLSA-N 2 0 349.475 2.128 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272977044 1194285978 /nfs/dbraw/zinc/28/59/78/1194285978.db2.gz JFFILVDEPRDDSO-BJLQDIEVSA-N 2 0 341.499 2.253 10 30 EEEERP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1Cc2ccccc2O1 ZINC000883176076 1202026007 /nfs/dbraw/zinc/02/60/07/1202026007.db2.gz VBIXYEYTBARRKO-CMKODMSKSA-N 2 0 330.472 2.371 10 30 EEEERP CC(C)(C)NC(=[NH2+])NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000132409765 1202102628 /nfs/dbraw/zinc/10/26/28/1202102628.db2.gz OBQRVIRULGJHNG-UHFFFAOYSA-N 2 0 343.519 2.421 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CCC(CC)([NH+]3CCC3)CC2)CC1 ZINC000884161958 1202245844 /nfs/dbraw/zinc/24/58/44/1202245844.db2.gz RPFRCDKHOONZOH-UHFFFAOYSA-N 2 0 334.508 2.297 10 30 EEEERP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000930576746 1206568266 /nfs/dbraw/zinc/56/82/66/1206568266.db2.gz MRGOSXVAVIRRIE-HXUWFJFHSA-N 2 0 325.456 2.414 10 30 EEEERP C=CCCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273823982 1286464035 /nfs/dbraw/zinc/46/40/35/1286464035.db2.gz GHEOLNFOGHIXKA-WOJBJXKFSA-N 2 0 341.499 2.447 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489349861 1290534624 /nfs/dbraw/zinc/53/46/24/1290534624.db2.gz LYIVGNPLRXOZJA-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H](C)[NH2+]CCC=C)CC1 ZINC001490309544 1291181697 /nfs/dbraw/zinc/18/16/97/1291181697.db2.gz KZLXTKCTAKDDKS-MJGOQNOKSA-N 2 0 331.504 2.267 10 30 EEEERP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCO[C@H](C)C#N)C2)ccn1 ZINC000856603703 1293579949 /nfs/dbraw/zinc/57/99/49/1293579949.db2.gz DGEWJQRTARTGPV-APWZRJJASA-N 2 0 346.475 2.304 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)Cc2ccccc2)[C@H](C)C1 ZINC001277786035 1304483831 /nfs/dbraw/zinc/48/38/31/1304483831.db2.gz SBJIXMYLRCWHSU-MJGOQNOKSA-N 2 0 327.472 2.111 10 30 EEEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCOCC1 ZINC001278726607 1317882678 /nfs/dbraw/zinc/88/26/78/1317882678.db2.gz YUWBKZKNMOTPMX-MSOLQXFVSA-N 2 0 349.519 2.225 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001264519610 1322723350 /nfs/dbraw/zinc/72/33/50/1322723350.db2.gz ADBGEVYOCJZHJP-ZBFHGGJFSA-N 2 0 327.900 2.442 10 30 EEEERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001691748476 1325130561 /nfs/dbraw/zinc/13/05/61/1325130561.db2.gz PREBKXQSVGQRSY-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001282680903 1325764254 /nfs/dbraw/zinc/76/42/54/1325764254.db2.gz DCUKTRPYXSYTNW-OALUTQOASA-N 2 0 333.520 2.491 10 30 EEEERP C=C(Br)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284026649 1326368814 /nfs/dbraw/zinc/36/88/14/1326368814.db2.gz QVJFZBWYQXMFOV-KGLIPLIRSA-N 2 0 346.313 2.206 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001284098224 1326405880 /nfs/dbraw/zinc/40/58/80/1326405880.db2.gz YANBXVDFWOZRSQ-KZNAEPCWSA-N 2 0 331.504 2.101 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)c1cnn(-c2ccncc2)c1)C(C)(C)C ZINC001284640257 1326643537 /nfs/dbraw/zinc/64/35/37/1326643537.db2.gz FSROZRONOGOZKZ-KRWDZBQOSA-N 2 0 339.443 2.025 10 30 EEEERP C#CC[NH+]1CC=C(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001284977387 1326806963 /nfs/dbraw/zinc/80/69/63/1326806963.db2.gz HBUVHVKJIWDVPE-IBGZPJMESA-N 2 0 325.456 2.061 10 30 EEEERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2Cl)C1)[NH+](C)C ZINC001317067391 1332067665 /nfs/dbraw/zinc/06/76/65/1332067665.db2.gz WFAKKRVYVMQFOB-FUHWJXTLSA-N 2 0 347.890 2.222 10 30 EEEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317157493 1332104328 /nfs/dbraw/zinc/10/43/28/1332104328.db2.gz JBXHWSGPKIFJDH-MAUKXSAKSA-N 2 0 325.472 2.213 10 30 EEEERP C=CC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCOCC1 ZINC001325005756 1333806490 /nfs/dbraw/zinc/80/64/90/1333806490.db2.gz RAARJCSVYGWLPY-UHFFFAOYSA-N 2 0 337.508 2.080 10 30 EEEERP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001325363433 1333872776 /nfs/dbraw/zinc/87/27/76/1333872776.db2.gz SDKACHGHUMEZIL-HXUWFJFHSA-N 2 0 345.531 2.446 10 30 EEEERP C=CCOCC[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001327128350 1334229150 /nfs/dbraw/zinc/22/91/50/1334229150.db2.gz AWCHCSUDBOTHQD-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001328808132 1334526175 /nfs/dbraw/zinc/52/61/75/1334526175.db2.gz NPLGFQWNTXESQK-PMACEKPBSA-N 2 0 345.531 2.446 10 30 EEEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001331283260 1334990644 /nfs/dbraw/zinc/99/06/44/1334990644.db2.gz OYMPBCXVKILMHP-QUCCMNQESA-N 2 0 345.531 2.491 10 30 EEEERP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CCCC[NH+](C)C ZINC001332044914 1335712727 /nfs/dbraw/zinc/71/27/27/1335712727.db2.gz CUJSLJZIPMHCHL-LSDHHAIUSA-N 2 0 348.516 2.431 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC(CC)CC)C[C@H]2C)CC1 ZINC001332063881 1335716923 /nfs/dbraw/zinc/71/69/23/1335716923.db2.gz KECGSLCOSANQFH-APWZRJJASA-N 2 0 333.520 2.347 10 30 EEEERP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1(C)C ZINC001332400734 1335818180 /nfs/dbraw/zinc/81/81/80/1335818180.db2.gz ZAOBITQAXGNIKP-QGZVFWFLSA-N 2 0 333.520 2.489 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001566912232 1342651375 /nfs/dbraw/zinc/65/13/75/1342651375.db2.gz DMTKLAXHVKVHBG-RBUKOAKNSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCOCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001566955067 1342659660 /nfs/dbraw/zinc/65/96/60/1342659660.db2.gz HQPASNQFCVVPFS-RBUKOAKNSA-N 2 0 349.519 2.130 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001570219864 1343035067 /nfs/dbraw/zinc/03/50/67/1343035067.db2.gz IGALVEBRLDZRTN-OALUTQOASA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)CC1 ZINC001606970367 1351387644 /nfs/dbraw/zinc/38/76/44/1351387644.db2.gz JYQQNGXYXCTSLN-RBUKOAKNSA-N 2 0 331.504 2.053 10 30 EEEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001649461113 1353517724 /nfs/dbraw/zinc/51/77/24/1353517724.db2.gz DBKGMACLRHKLMJ-HKUYNNGSSA-N 2 0 329.488 2.174 10 30 EEEERP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001656847770 1354283541 /nfs/dbraw/zinc/28/35/41/1354283541.db2.gz QCEWOIZSQKXNHB-QRVBRYPASA-N 2 0 333.520 2.465 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001661192681 1354602919 /nfs/dbraw/zinc/60/29/19/1354602919.db2.gz IJADVRVLZYOCBZ-LJQANCHMSA-N 2 0 345.462 2.002 10 30 EEEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001664446460 1355166017 /nfs/dbraw/zinc/16/60/17/1355166017.db2.gz BUTAENQHRKSAEQ-OAHLLOKOSA-N 2 0 339.443 2.284 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001664599922 1355197908 /nfs/dbraw/zinc/19/79/08/1355197908.db2.gz WHEIXJWBSIHOSP-RBUKOAKNSA-N 2 0 327.472 2.331 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]Cc2cccc(F)c2)CC1 ZINC001667059564 1355641187 /nfs/dbraw/zinc/64/11/87/1355641187.db2.gz RWIMNTVKRKOIFY-MRXNPFEDSA-N 2 0 345.462 2.107 10 30 EEEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001667107774 1355649528 /nfs/dbraw/zinc/64/95/28/1355649528.db2.gz HGGNAGXHVWNODM-QFBILLFUSA-N 2 0 339.499 2.343 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC2CC(C)(C)C2)C(C)C)CC1 ZINC001667519371 1355753553 /nfs/dbraw/zinc/75/35/53/1355753553.db2.gz DVLVLFCZYSPSTH-IBGZPJMESA-N 2 0 347.547 2.498 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001667771889 1355813039 /nfs/dbraw/zinc/81/30/39/1355813039.db2.gz USHIAQXHJSHUNZ-WOJBJXKFSA-N 2 0 341.499 2.253 10 30 EEEERP CC#CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC001671559136 1356361944 /nfs/dbraw/zinc/36/19/44/1356361944.db2.gz NZHHQOYFEGHZFY-LJQANCHMSA-N 2 0 333.520 2.395 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001672830384 1356594284 /nfs/dbraw/zinc/59/42/84/1356594284.db2.gz HFWXFEMSRDLKPK-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC#Cc1ccccc1 ZINC001698622934 1405011734 /nfs/dbraw/zinc/01/17/34/1405011734.db2.gz VMRUGBRHFITINV-FQEVSTJZSA-N 2 0 341.499 2.254 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C(=O)CC[NH+](C)C ZINC001698845501 1405104818 /nfs/dbraw/zinc/10/48/18/1405104818.db2.gz ZRTXOWLWEYOCGS-HNNXBMFYSA-N 2 0 335.879 2.080 10 30 EEEERP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2cnccc2OC)C(C)(C)C1 ZINC000940835435 779382475 /nfs/dbraw/zinc/38/24/75/779382475.db2.gz CILABQCSDXKOJM-KRWDZBQOSA-N 2 0 331.460 2.426 10 30 EEEERP C[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(C#N)c3)cn2)CC1 ZINC000921522880 788836959 /nfs/dbraw/zinc/83/69/59/788836959.db2.gz VKPAWTFOFZVIFL-UHFFFAOYSA-N 2 0 327.457 2.056 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001436480487 1087960077 /nfs/dbraw/zinc/96/00/77/1087960077.db2.gz UZSALAVFZBLUAJ-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001436977637 1088673286 /nfs/dbraw/zinc/67/32/86/1088673286.db2.gz UGOVLTBEFMBTIJ-HDICACEKSA-N 2 0 328.460 2.027 10 30 EEEERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001437214484 1089295474 /nfs/dbraw/zinc/29/54/74/1089295474.db2.gz LMWCPMYKFUEAML-PBHICJAKSA-N 2 0 348.516 2.477 10 30 EEEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001479567833 1098612745 /nfs/dbraw/zinc/61/27/45/1098612745.db2.gz RAGRMHUBIVXIPS-QAPCUYQASA-N 2 0 338.455 2.496 10 30 EEEERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001444829360 1099777350 /nfs/dbraw/zinc/77/73/50/1099777350.db2.gz QZQNWMFUYPENGV-PBHICJAKSA-N 2 0 348.516 2.288 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001480596209 1100444814 /nfs/dbraw/zinc/44/48/14/1100444814.db2.gz JHUOCQKGBAFINU-OXQOHEQNSA-N 2 0 339.483 2.113 10 30 EEEERP CC[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1 ZINC001495139302 1100809728 /nfs/dbraw/zinc/80/97/28/1100809728.db2.gz NEWKQUJOSOZUTL-HXUWFJFHSA-N 2 0 341.499 2.399 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H](C)[NH2+]CC(C)C)C2)CC1 ZINC001496466133 1101058337 /nfs/dbraw/zinc/05/83/37/1101058337.db2.gz ZBTLKHMWSXULDF-HKUYNNGSSA-N 2 0 333.520 2.204 10 30 EEEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001495423153 1101141769 /nfs/dbraw/zinc/14/17/69/1101141769.db2.gz YQHSHMBFHQOHSO-IBGZPJMESA-N 2 0 333.520 2.348 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001497196576 1102108721 /nfs/dbraw/zinc/10/87/21/1102108721.db2.gz AMFHSNCUXQTDPX-PBHICJAKSA-N 2 0 348.516 2.479 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)CC[NH+](C)C ZINC001497262264 1102215561 /nfs/dbraw/zinc/21/55/61/1102215561.db2.gz IIWJBDTZNLPPNC-OAHLLOKOSA-N 2 0 335.879 2.128 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC2CCC(C)CC2)CC1 ZINC001498197372 1107063658 /nfs/dbraw/zinc/06/36/58/1107063658.db2.gz LXSUETUNHAYIJB-ADKAHSJRSA-N 2 0 333.520 2.252 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)C1([NH+](C)C)CCC1 ZINC001493575096 1108342979 /nfs/dbraw/zinc/34/29/79/1108342979.db2.gz SUXJKFNCYHBGOH-UHFFFAOYSA-N 2 0 347.890 2.224 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cc(C#N)ccc1F ZINC001493807189 1108686938 /nfs/dbraw/zinc/68/69/38/1108686938.db2.gz XFRSLVUNWFALAL-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C=C(C[NH+](C)C)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001464763873 1110402751 /nfs/dbraw/zinc/40/27/51/1110402751.db2.gz HPYVTZRFGLBZKX-UHFFFAOYSA-N 2 0 329.488 2.475 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CCC)CC1 ZINC001500054613 1112594866 /nfs/dbraw/zinc/59/48/66/1112594866.db2.gz RUXFSQASBJFGGT-PKOBYXMFSA-N 2 0 333.520 2.443 10 30 EEEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001500429019 1112824862 /nfs/dbraw/zinc/82/48/62/1112824862.db2.gz TZXSEIZCXLPOEC-MRXNPFEDSA-N 2 0 327.488 2.461 10 30 EEEERP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001500498381 1112889177 /nfs/dbraw/zinc/88/91/77/1112889177.db2.gz HXSMUJNHEQDWRK-SFHVURJKSA-N 2 0 333.501 2.275 10 30 EEEERP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001500511788 1112905056 /nfs/dbraw/zinc/90/50/56/1112905056.db2.gz KIJQQVMDGQMWRO-NRFANRHFSA-N 2 0 341.499 2.256 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CCC(=C)C)C2)CC1 ZINC001501093212 1113196476 /nfs/dbraw/zinc/19/64/76/1113196476.db2.gz XGSYKUQVNLNYTM-MJGOQNOKSA-N 2 0 331.504 2.124 10 30 EEEERP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001503692505 1113900176 /nfs/dbraw/zinc/90/01/76/1113900176.db2.gz VTTDZGPIPROMOZ-LJQANCHMSA-N 2 0 327.472 2.374 10 30 EEEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001505396932 1113934135 /nfs/dbraw/zinc/93/41/35/1113934135.db2.gz WLPRTDBGDOVUKH-LJQANCHMSA-N 2 0 333.520 2.443 10 30 EEEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001505406575 1113942532 /nfs/dbraw/zinc/94/25/32/1113942532.db2.gz VNZAHFVOOYFXCZ-INIZCTEOSA-N 2 0 325.416 2.038 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC001505850326 1114232603 /nfs/dbraw/zinc/23/26/03/1114232603.db2.gz RMPZBHZGMMARHH-UHFFFAOYSA-N 2 0 344.503 2.473 10 30 EEEERP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001506522769 1114671889 /nfs/dbraw/zinc/67/18/89/1114671889.db2.gz XRZBIGGGDYKNLN-ZWKOTPCHSA-N 2 0 331.504 2.435 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001568343278 1124427782 /nfs/dbraw/zinc/42/77/82/1124427782.db2.gz FKNTVWVKDSNYLR-SFHVURJKSA-N 2 0 331.504 2.293 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH2+]CCCC)CC1 ZINC001568435038 1124502655 /nfs/dbraw/zinc/50/26/55/1124502655.db2.gz WEKULXMDIDJSBK-MJGOQNOKSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CC2=CCCCC2)CC1 ZINC001568506311 1124561428 /nfs/dbraw/zinc/56/14/28/1124561428.db2.gz MMMUEKSSSGLQPJ-UHFFFAOYSA-N 2 0 331.504 2.222 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1CC ZINC001569343769 1125244694 /nfs/dbraw/zinc/24/46/94/1125244694.db2.gz YYNQLKOMBVKNJZ-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP COc1ccc(NC(=[NH2+])NC2CC([NH+]3CCCCC3)C2)cc1OC ZINC000262461700 464028793 /nfs/dbraw/zinc/02/87/93/464028793.db2.gz MPEHHEWDWBFIAH-UHFFFAOYSA-N 2 0 332.448 2.447 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](n3ccnc3CC)C2)CC1 ZINC000172463442 464087263 /nfs/dbraw/zinc/08/72/63/464087263.db2.gz MTUYKPPCTRUTKL-KRWDZBQOSA-N 2 0 345.491 2.442 10 30 EEEERP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357523107 466101297 /nfs/dbraw/zinc/10/12/97/466101297.db2.gz GVGRJLBEOFXMEU-UHFFFAOYSA-N 2 0 333.436 2.176 10 30 EEEERP C=CC[C@]1(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662391586 472095702 /nfs/dbraw/zinc/09/57/02/472095702.db2.gz CKXAUQOZGSABRQ-HXUWFJFHSA-N 2 0 327.472 2.419 10 30 EEEERP [NH2+]=C(NC[C@@H]1CCCO1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000161530771 678830682 /nfs/dbraw/zinc/83/06/82/678830682.db2.gz FDYIXLOHFYQMEW-HNNXBMFYSA-N 2 0 336.505 2.043 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC000915078407 684045774 /nfs/dbraw/zinc/04/57/74/684045774.db2.gz IRCJNXRNCADGCL-QGZVFWFLSA-N 2 0 346.475 2.059 10 30 EEEERP CCc1nc(CNC(=[NH+]C)N2CC[C@H]([NH+]3CCCCC3)C2)cs1 ZINC000262792627 688477263 /nfs/dbraw/zinc/47/72/63/688477263.db2.gz OLRHUUHMCAQLGU-HNNXBMFYSA-N 2 0 335.521 2.341 10 30 EEEERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001485703141 1191906089 /nfs/dbraw/zinc/90/60/89/1191906089.db2.gz QPOYFKZQTFZUSD-BHIYHBOVSA-N 2 0 345.462 2.002 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CCC(C)C)CC2)CC1 ZINC001485767220 1191940975 /nfs/dbraw/zinc/94/09/75/1191940975.db2.gz FYAWNNCHWDLAGE-UHFFFAOYSA-N 2 0 333.520 2.301 10 30 EEEERP C#CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001691308923 1177879708 /nfs/dbraw/zinc/87/97/08/1177879708.db2.gz IRFBUHWJIAFLMA-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001691319305 1177903397 /nfs/dbraw/zinc/90/33/97/1177903397.db2.gz DJFMHKOKSIIXSA-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC#Cc1ccccc1 ZINC001267393642 1178964354 /nfs/dbraw/zinc/96/43/54/1178964354.db2.gz OHYNBMFOIZAJAJ-HXUWFJFHSA-N 2 0 341.499 2.207 10 30 EEEERP CCN(CC#Cc1ccccc1Cl)CCNC(=O)CC[N@H+](C)CC ZINC001481010242 1179485348 /nfs/dbraw/zinc/48/53/48/1179485348.db2.gz PPABSXNMHMNWPE-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC=C(Cl)Cl)CC1 ZINC001268100502 1181745588 /nfs/dbraw/zinc/74/55/88/1181745588.db2.gz XLRVMTSCJCSXKQ-ZDUSSCGKSA-N 2 0 346.302 2.087 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC(C)C)CC1 ZINC001268198992 1181998833 /nfs/dbraw/zinc/99/88/33/1181998833.db2.gz APVCLLAJBDFTEC-IBGZPJMESA-N 2 0 333.520 2.301 10 30 EEEERP C[NH+](C)CCC(=O)NC1(C[NH2+]CC#Cc2ccc(F)cc2)CCCC1 ZINC001481904075 1182918065 /nfs/dbraw/zinc/91/80/65/1182918065.db2.gz BXACFBJXLHACAP-UHFFFAOYSA-N 2 0 345.462 2.148 10 30 EEEERP CCC[N@H+](C)CC(=O)N(CC)CC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268493535 1182994374 /nfs/dbraw/zinc/99/43/74/1182994374.db2.gz PQEOWDAEVHWTPX-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C#CCC[NH2+]C[C@](C)(NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001481941598 1183000793 /nfs/dbraw/zinc/00/07/93/1183000793.db2.gz VBFPICLTNOXGJG-OALUTQOASA-N 2 0 337.483 2.097 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001268549595 1183232198 /nfs/dbraw/zinc/23/21/98/1183232198.db2.gz QSBFCKHUDSQNLP-REMYHPOOSA-N 2 0 346.500 2.256 10 30 EEEERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001268712376 1183632604 /nfs/dbraw/zinc/63/26/04/1183632604.db2.gz SNOXZUUIRYFYIL-MAUKXSAKSA-N 2 0 349.906 2.372 10 30 EEEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001269908244 1184708907 /nfs/dbraw/zinc/70/89/07/1184708907.db2.gz LROHTSLDLPPHDL-CQSZACIVSA-N 2 0 327.900 2.299 10 30 EEEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001269935853 1184728270 /nfs/dbraw/zinc/72/82/70/1184728270.db2.gz YYIQJXPBUQJKCN-MRXNPFEDSA-N 2 0 327.900 2.299 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001270885425 1185654814 /nfs/dbraw/zinc/65/48/14/1185654814.db2.gz ITKLVIVBKVDXCU-UHFFFAOYSA-N 2 0 331.504 2.104 10 30 EEEERP CC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@@H]21 ZINC001482663141 1187506595 /nfs/dbraw/zinc/50/65/95/1187506595.db2.gz OKAZWEXIUQHMGG-OALUTQOASA-N 2 0 333.520 2.445 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482862449 1187775343 /nfs/dbraw/zinc/77/53/43/1187775343.db2.gz SOSUKTYVIJBLBN-YJBOKZPZSA-N 2 0 328.460 2.027 10 30 EEEERP CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482929588 1187849644 /nfs/dbraw/zinc/84/96/44/1187849644.db2.gz BNWFTOCMKVKVIY-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001272117423 1187920912 /nfs/dbraw/zinc/92/09/12/1187920912.db2.gz GZUCTDDXAHQGGL-MOPGFXCFSA-N 2 0 329.488 2.298 10 30 EEEERP C[NH+](C)CCCC(=O)NC1CC(C[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001409276519 1188586376 /nfs/dbraw/zinc/58/63/76/1188586376.db2.gz TXIJSHHCMZZXTR-UHFFFAOYSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001483817813 1191046585 /nfs/dbraw/zinc/04/65/85/1191046585.db2.gz ZTTKVAOZSPNVHO-VQTJNVASSA-N 2 0 343.515 2.340 10 30 EEEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001483804699 1191051239 /nfs/dbraw/zinc/05/12/39/1191051239.db2.gz RSEHVKAIMRMQLP-HQSKLWIPSA-N 2 0 337.483 2.191 10 30 EEEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001484925663 1191572880 /nfs/dbraw/zinc/57/28/80/1191572880.db2.gz RIIRKBUAYHVOBH-UHFFFAOYSA-N 2 0 337.508 2.034 10 30 EEEERP CC#CC[NH2+]C1(C)CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001484923423 1191576550 /nfs/dbraw/zinc/57/65/50/1191576550.db2.gz PEILRXASIDFZSG-UHFFFAOYSA-N 2 0 341.499 2.398 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001273204494 1197516349 /nfs/dbraw/zinc/51/63/49/1197516349.db2.gz LJUYIGFRAJPBBR-QFBILLFUSA-N 2 0 342.487 2.417 10 30 EEEERP C[NH+](C)C[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)C[C@H]1C[NH+](C)C ZINC000866012187 1198454146 /nfs/dbraw/zinc/45/41/46/1198454146.db2.gz TUODVGZWMKOGOU-IAGOWNOFSA-N 2 0 343.519 2.426 10 30 EEEERP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001273428525 1198811167 /nfs/dbraw/zinc/81/11/67/1198811167.db2.gz PGNTXYJEECWPIN-MRXNPFEDSA-N 2 0 342.443 2.350 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000876877387 1199803394 /nfs/dbraw/zinc/80/33/94/1199803394.db2.gz UMGRWKDNJCQVFV-OAHLLOKOSA-N 2 0 327.831 2.186 10 30 EEEERP C[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)[C@@H]1CCC[NH3+] ZINC000867986016 1201721123 /nfs/dbraw/zinc/72/11/23/1201721123.db2.gz USYHVIUUKLCDQV-NIKGAXFTSA-N 2 0 340.471 2.111 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CCC2CCCC2)CC1 ZINC001274610702 1205096919 /nfs/dbraw/zinc/09/69/19/1205096919.db2.gz PVFNQBZFXWXRCU-WAYWQWQTSA-N 2 0 331.504 2.174 10 30 EEEERP CC[C@@H](C)NC(=[NH2+])NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000305735555 1217116503 /nfs/dbraw/zinc/11/65/03/1217116503.db2.gz RXOJKXCOPFUQJC-MRXNPFEDSA-N 2 0 343.519 2.421 10 30 EEEERP CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903987814 1242885874 /nfs/dbraw/zinc/88/58/74/1242885874.db2.gz JXQBONQJMLNLPZ-QGZVFWFLSA-N 2 0 338.459 2.185 10 30 EEEERP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001273824892 1286477660 /nfs/dbraw/zinc/47/76/60/1286477660.db2.gz LJJZVYLKYKDSED-IBGZPJMESA-N 2 0 329.488 2.447 10 30 EEEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001489049019 1290330265 /nfs/dbraw/zinc/33/02/65/1290330265.db2.gz NFBGQMQQLPKDEQ-XLIONFOSSA-N 2 0 341.499 2.254 10 30 EEEERP C[C@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001277147750 1301511658 /nfs/dbraw/zinc/51/16/58/1301511658.db2.gz GZBZQSVWIAWXRI-APWZRJJASA-N 2 0 345.462 2.146 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001278169495 1306147433 /nfs/dbraw/zinc/14/74/33/1306147433.db2.gz NKLBYKLCIODHTK-GOSISDBHSA-N 2 0 345.512 2.269 10 30 EEEERP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC2CC2)CC1 ZINC001278194996 1306245983 /nfs/dbraw/zinc/24/59/83/1306245983.db2.gz ZNNNZMBZZRQHHK-SFHVURJKSA-N 2 0 331.504 2.055 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001278609426 1317356176 /nfs/dbraw/zinc/35/61/76/1317356176.db2.gz ZCWWPXALIBXFLT-PKOBYXMFSA-N 2 0 331.504 2.006 10 30 EEEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001264549869 1322730311 /nfs/dbraw/zinc/73/03/11/1322730311.db2.gz UTLDDDIDIKBBIS-HBFSDRIKSA-N 2 0 345.531 2.491 10 30 EEEERP C#CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001264586119 1322740570 /nfs/dbraw/zinc/74/05/70/1322740570.db2.gz LLGLLECBTQUGKY-NJAFHUGGSA-N 2 0 333.520 2.203 10 30 EEEERP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001264755596 1322810867 /nfs/dbraw/zinc/81/08/67/1322810867.db2.gz WAMAZHHAPAMSCD-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CC=C(C)C)C2)CC1 ZINC001266120094 1323690400 /nfs/dbraw/zinc/69/04/00/1323690400.db2.gz SVNDSNAADDUOBD-IBGZPJMESA-N 2 0 331.504 2.221 10 30 EEEERP C=CCOCC[NH2+]C1(CC)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001281050067 1324744359 /nfs/dbraw/zinc/74/43/59/1324744359.db2.gz UCOXHDLWXRXMDF-IBGZPJMESA-N 2 0 349.519 2.036 10 30 EEEERP C#CCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001284072698 1326393707 /nfs/dbraw/zinc/39/37/07/1326393707.db2.gz UDBSWBLCQZKOKR-QUCCMNQESA-N 2 0 331.504 2.389 10 30 EEEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001491929254 1330318814 /nfs/dbraw/zinc/31/88/14/1330318814.db2.gz NENSNJFSIDWGPF-INIZCTEOSA-N 2 0 333.501 2.369 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001317034996 1332052468 /nfs/dbraw/zinc/05/24/68/1332052468.db2.gz QQTCTVYGWPESNV-HXUWFJFHSA-N 2 0 343.515 2.316 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2CCC=C)CC1 ZINC001317435107 1332238625 /nfs/dbraw/zinc/23/86/25/1332238625.db2.gz PKKHUZRTHQXFMH-IBGZPJMESA-N 2 0 331.504 2.269 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001317720980 1332388125 /nfs/dbraw/zinc/38/81/25/1332388125.db2.gz QDASXVJHJPROQE-RBUKOAKNSA-N 2 0 327.472 2.331 10 30 EEEERP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317857204 1332433621 /nfs/dbraw/zinc/43/36/21/1332433621.db2.gz PGVZYQXFODFSBK-AZUAARDMSA-N 2 0 341.499 2.483 10 30 EEEERP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001319039955 1332640632 /nfs/dbraw/zinc/64/06/32/1332640632.db2.gz RSBPBECDKUJDGF-RTBURBONSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001319038676 1332640651 /nfs/dbraw/zinc/64/06/51/1332640651.db2.gz SYWKNQMZGXJGJI-RTBURBONSA-N 2 0 331.504 2.245 10 30 EEEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001323048199 1333374801 /nfs/dbraw/zinc/37/48/01/1333374801.db2.gz QZFDKKLGOJQITQ-RTBURBONSA-N 2 0 331.504 2.291 10 30 EEEERP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CC=C(C)C)CC1 ZINC001324397940 1333674586 /nfs/dbraw/zinc/67/45/86/1333674586.db2.gz WGBFQEDAHVSQCZ-UHFFFAOYSA-N 2 0 331.504 2.363 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CCC)CC1 ZINC001324426850 1333680554 /nfs/dbraw/zinc/68/05/54/1333680554.db2.gz OEIHQGCUNNAQDW-HKUYNNGSSA-N 2 0 331.504 2.340 10 30 EEEERP CC#CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CCC1 ZINC001326912029 1334182675 /nfs/dbraw/zinc/18/26/75/1334182675.db2.gz XEFKSSVBZPBOQY-SFHVURJKSA-N 2 0 327.472 2.331 10 30 EEEERP Cc1cc(NC(=O)[C@H]([NH3+])CCCCC#N)ccc1N1CC[NH+](C)CC1 ZINC001332944949 1335934997 /nfs/dbraw/zinc/93/49/97/1335934997.db2.gz DNSUHRNUVUYMET-QGZVFWFLSA-N 2 0 343.475 2.097 10 30 EEEERP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001566689853 1342603796 /nfs/dbraw/zinc/60/37/96/1342603796.db2.gz WBESLNYKRONAST-ROUUACIJSA-N 2 0 349.519 2.033 10 30 EEEERP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2ccccc2C#N)CC1 ZINC001567584363 1342787904 /nfs/dbraw/zinc/78/79/04/1342787904.db2.gz SGQXONNBIOJKIG-UHFFFAOYSA-N 2 0 342.487 2.227 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CC[NH+](C)C)C1 ZINC001567745492 1342832137 /nfs/dbraw/zinc/83/21/37/1342832137.db2.gz QUASKZWCWJEDHB-HXUWFJFHSA-N 2 0 341.499 2.455 10 30 EEEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCCC(C)C)CC1 ZINC001569595863 1342905321 /nfs/dbraw/zinc/90/53/21/1342905321.db2.gz FFYGJEZHFYXCGN-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP C[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC001571480109 1343216930 /nfs/dbraw/zinc/21/69/30/1343216930.db2.gz ZTKUHSVUWORRHL-PKOBYXMFSA-N 2 0 339.483 2.101 10 30 EEEERP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001676888996 1357234318 /nfs/dbraw/zinc/23/43/18/1357234318.db2.gz XMNJQNOJCJSLRC-AEFFLSMTSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001657070882 1354315948 /nfs/dbraw/zinc/31/59/48/1354315948.db2.gz JDLIZJDBIJQNAF-SFHVURJKSA-N 2 0 333.520 2.445 10 30 EEEERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)c(F)c1 ZINC001660502351 1354476391 /nfs/dbraw/zinc/47/63/91/1354476391.db2.gz QPYAOTKUIBADRQ-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001661213494 1354608760 /nfs/dbraw/zinc/60/87/60/1354608760.db2.gz SNTCWTYDGXJMRY-IEBWSBKVSA-N 2 0 333.520 2.465 10 30 EEEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001661623701 1354666044 /nfs/dbraw/zinc/66/60/44/1354666044.db2.gz REGOWMLTUCJVPR-GASCZTMLSA-N 2 0 325.416 2.084 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001662424463 1354794888 /nfs/dbraw/zinc/79/48/88/1354794888.db2.gz LCVLQCZJSUUVGV-QGZVFWFLSA-N 2 0 333.520 2.396 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC001666139445 1355463656 /nfs/dbraw/zinc/46/36/56/1355463656.db2.gz BGWLCUFKBHSICT-FQEVSTJZSA-N 2 0 341.499 2.208 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001666145015 1355465696 /nfs/dbraw/zinc/46/56/96/1355465696.db2.gz BNLMLDKJNPKQQH-QFBILLFUSA-N 2 0 337.483 2.050 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)CC[NH+](C)C ZINC001666982787 1355627090 /nfs/dbraw/zinc/62/70/90/1355627090.db2.gz MLGNJJJKBLGRKQ-HNNXBMFYSA-N 2 0 335.879 2.080 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC001671559135 1356362116 /nfs/dbraw/zinc/36/21/16/1356362116.db2.gz NZHHQOYFEGHZFY-IBGZPJMESA-N 2 0 333.520 2.395 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001672381402 1356512642 /nfs/dbraw/zinc/51/26/42/1356512642.db2.gz QMPHZPYKENINBP-WGSAOQKQSA-N 2 0 333.520 2.398 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001672806599 1356588913 /nfs/dbraw/zinc/58/89/13/1356588913.db2.gz YRNBBDPCSPRMRY-MJGOQNOKSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001672929500 1356617171 /nfs/dbraw/zinc/61/71/71/1356617171.db2.gz KSRKWDSDWRFZBN-KRWDZBQOSA-N 2 0 327.472 2.100 10 30 EEEERP C=C(C)C[N@@H+]1CCc2c(CNC(=O)C[NH+]3CCCC3)cccc2C1 ZINC001673079676 1356644432 /nfs/dbraw/zinc/64/44/32/1356644432.db2.gz JURAZQPNNLOVHP-UHFFFAOYSA-N 2 0 327.472 2.333 10 30 EEEERP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@]2(C)C1 ZINC001675689192 1357036498 /nfs/dbraw/zinc/03/64/98/1357036498.db2.gz YAVUMUNAMJUGMO-QRQLOZEOSA-N 2 0 339.499 2.413 10 30 EEEERP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001699785419 1405483159 /nfs/dbraw/zinc/48/31/59/1405483159.db2.gz NYVZNBUVBVMBNT-UHFFFAOYSA-N 2 0 331.504 2.055 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001439283180 1091941965 /nfs/dbraw/zinc/94/19/65/1091941965.db2.gz CLDFUSHNPHBOHX-BBRMVZONSA-N 2 0 334.489 2.088 10 30 EEEERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCC2)C1 ZINC001440353750 1093508841 /nfs/dbraw/zinc/50/88/41/1093508841.db2.gz CINLHDINVBOXCJ-SFHVURJKSA-N 2 0 340.471 2.029 10 30 EEEERP CCCC[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441144608 1094481764 /nfs/dbraw/zinc/48/17/64/1094481764.db2.gz ZQFLXCSCRYTONO-HUUCEWRRSA-N 2 0 348.516 2.336 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001442297382 1096613105 /nfs/dbraw/zinc/61/31/05/1096613105.db2.gz SYFQPZQCKBWGES-CJNGLKHVSA-N 2 0 333.879 2.436 10 30 EEEERP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001443329497 1097834843 /nfs/dbraw/zinc/83/48/43/1097834843.db2.gz WAFVQNHCVIYUIG-JYJNAYRXSA-N 2 0 327.900 2.250 10 30 EEEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001479695976 1098764937 /nfs/dbraw/zinc/76/49/37/1098764937.db2.gz QZHRGTIGWWMNQW-OALUTQOASA-N 2 0 333.520 2.491 10 30 EEEERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]Cc1cccc(C#N)c1 ZINC001444360904 1098925247 /nfs/dbraw/zinc/92/52/47/1098925247.db2.gz ZAEQGCMCOCRQDY-MRXNPFEDSA-N 2 0 342.487 2.275 10 30 EEEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001480096216 1099658553 /nfs/dbraw/zinc/65/85/53/1099658553.db2.gz OXAXZNTWYUHPRK-IXDOHACOSA-N 2 0 325.472 2.308 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001495507053 1101220444 /nfs/dbraw/zinc/22/04/44/1101220444.db2.gz CYKVXNHTROUEMW-IRXDYDNUSA-N 2 0 327.472 2.289 10 30 EEEERP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497242021 1102181591 /nfs/dbraw/zinc/18/15/91/1102181591.db2.gz UFGVJQAFCMJAOH-MRXNPFEDSA-N 2 0 342.487 2.417 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497252204 1102194869 /nfs/dbraw/zinc/19/48/69/1102194869.db2.gz KMWWUWIPQMLHAP-KSSFIOAISA-N 2 0 346.450 2.166 10 30 EEEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001494673225 1104259343 /nfs/dbraw/zinc/25/93/43/1104259343.db2.gz QPYREPHVUXNBIZ-TXPKVOOTSA-N 2 0 337.483 2.450 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC3CCC(C)CC3)CC2)CC1 ZINC001499458683 1112296596 /nfs/dbraw/zinc/29/65/96/1112296596.db2.gz LVLCEDNKZKCPLA-UHFFFAOYSA-N 2 0 345.531 2.396 10 30 EEEERP C=C(C)CC[NH+]1CCC(C)(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001500001863 1112573417 /nfs/dbraw/zinc/57/34/17/1112573417.db2.gz BFULTYLQYWPDKD-UHFFFAOYSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001501053476 1113182263 /nfs/dbraw/zinc/18/22/63/1113182263.db2.gz IQSAWQDTNXUKMF-IAGOWNOFSA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCCCC)C[C@H]32)CC1 ZINC001501427438 1113355632 /nfs/dbraw/zinc/35/56/32/1113355632.db2.gz LZQAWSOEDDYZQU-VQTJNVASSA-N 2 0 345.531 2.445 10 30 EEEERP CC#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001502404830 1113669716 /nfs/dbraw/zinc/66/97/16/1113669716.db2.gz NXHREIUFQVNNHR-MOPGFXCFSA-N 2 0 333.520 2.302 10 30 EEEERP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001506854466 1114918468 /nfs/dbraw/zinc/91/84/68/1114918468.db2.gz LPWZGIINBPGFOA-OTWHNJEPSA-N 2 0 345.531 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CCC(C)C)C2CC2)CC1 ZINC001568033308 1124241300 /nfs/dbraw/zinc/24/13/00/1124241300.db2.gz FUDMYOBLZVQHIT-HXUWFJFHSA-N 2 0 333.520 2.252 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001568858434 1124881009 /nfs/dbraw/zinc/88/10/09/1124881009.db2.gz NEEGIFCKXYXGNG-ROUKRRSUSA-N 2 0 339.483 2.175 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001569269204 1125208689 /nfs/dbraw/zinc/20/86/89/1125208689.db2.gz RNOMZPPHNYPZEJ-NTCAYCPXSA-N 2 0 346.302 2.089 10 30 EEEERP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001565885159 1125449366 /nfs/dbraw/zinc/44/93/66/1125449366.db2.gz PNUYRTFKPYLLQG-RBUKOAKNSA-N 2 0 329.488 2.487 10 30 EEEERP C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415956118 239019115 /nfs/dbraw/zinc/01/91/15/239019115.db2.gz NIOAQRHPRHJYCI-UHFFFAOYSA-N 2 0 347.438 2.171 10 30 EEEERP C[C@@H]1C[C@@H](N(C)CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1C ZINC000123025816 463309858 /nfs/dbraw/zinc/30/98/58/463309858.db2.gz CMBZJVSTHVKCBN-AEFFLSMTSA-N 2 0 328.460 2.348 10 30 EEEERP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594444098 468590365 /nfs/dbraw/zinc/59/03/65/468590365.db2.gz XPJHWPXCNZVXSM-YTQUADARSA-N 2 0 342.487 2.424 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)CN1CC[NH+](C)CC1 ZINC000594498955 468609637 /nfs/dbraw/zinc/60/96/37/468609637.db2.gz OBQIFLYZRHNBRW-QGZVFWFLSA-N 2 0 328.504 2.461 10 30 EEEERP C[N@H+](CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000600717530 468631935 /nfs/dbraw/zinc/63/19/35/468631935.db2.gz MTNYUKZQGMYHEU-GOSISDBHSA-N 2 0 337.508 2.302 10 30 EEEERP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1C#N ZINC000593323264 468938699 /nfs/dbraw/zinc/93/86/99/468938699.db2.gz SAAHAUORJUEMTD-LMMKCTJWSA-N 2 0 329.444 2.428 10 30 EEEERP C=CC[C@]1(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]1 ZINC000662792462 472253879 /nfs/dbraw/zinc/25/38/79/472253879.db2.gz BFABMCXWGDSDCQ-LJQANCHMSA-N 2 0 328.460 2.113 10 30 EEEERP C#CC[NH+]1CCCC2(CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001772517145 1176583029 /nfs/dbraw/zinc/58/30/29/1176583029.db2.gz GBFYISOVIIOWKH-IBGZPJMESA-N 2 0 339.483 2.237 10 30 EEEERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1)[NH+](C)C ZINC001266693321 1177215138 /nfs/dbraw/zinc/21/51/38/1177215138.db2.gz VRRMIFMKLSZLOF-SOLBZPMBSA-N 2 0 347.890 2.269 10 30 EEEERP C=C(Br)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001266980388 1177978778 /nfs/dbraw/zinc/97/87/78/1177978778.db2.gz UIQZEAXGXKINID-ZIAGYGMSSA-N 2 0 346.313 2.063 10 30 EEEERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001267004818 1178067133 /nfs/dbraw/zinc/06/71/33/1178067133.db2.gz JITZCUFAPFAEKB-UHFFFAOYSA-N 2 0 335.879 2.081 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)CCC[NH+](C)C ZINC001267419643 1178985597 /nfs/dbraw/zinc/98/55/97/1178985597.db2.gz PTQAVPMBLYOKMO-UHFFFAOYSA-N 2 0 335.879 2.081 10 30 EEEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001267492838 1179168580 /nfs/dbraw/zinc/16/85/80/1179168580.db2.gz YFBWNXPUICBNDD-PKOBYXMFSA-N 2 0 333.520 2.489 10 30 EEEERP CC#CC[N@H+](CCCNC(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001267511710 1179225260 /nfs/dbraw/zinc/22/52/60/1179225260.db2.gz UCJQYYMERGCCCM-UHFFFAOYSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001267552531 1179343980 /nfs/dbraw/zinc/34/39/80/1179343980.db2.gz OKQAKUORBNLGDC-SFHVURJKSA-N 2 0 341.499 2.256 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H](C)CC)CC2)CC1 ZINC001267932604 1180783503 /nfs/dbraw/zinc/78/35/03/1180783503.db2.gz WIPGKVKFGLGGDX-BHIYHBOVSA-N 2 0 333.520 2.395 10 30 EEEERP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC#Cc1ccccc1 ZINC001481818897 1182746371 /nfs/dbraw/zinc/74/63/71/1182746371.db2.gz OGGRNLOQPFQWIJ-SFHVURJKSA-N 2 0 327.472 2.007 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001481984464 1183086886 /nfs/dbraw/zinc/08/68/86/1183086886.db2.gz PXHKYUJPOZILRP-HXUWFJFHSA-N 2 0 341.499 2.012 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2ccccc2C)CC1 ZINC001268630124 1183555013 /nfs/dbraw/zinc/55/50/13/1183555013.db2.gz FXEZTDZMYVXNCT-SREVYHEPSA-N 2 0 339.483 2.102 10 30 EEEERP C#CCC[NH2+]CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001269587816 1184413002 /nfs/dbraw/zinc/41/30/02/1184413002.db2.gz HFYSQSGYUCTZLB-UHFFFAOYSA-N 2 0 331.504 2.150 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)Cn1ccnc1C)c1ccc2ccccc2c1 ZINC001270368724 1185052945 /nfs/dbraw/zinc/05/29/45/1185052945.db2.gz IBYRRDXEYIFBPF-FQEVSTJZSA-N 2 0 346.434 2.425 10 30 EEEERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001270371233 1185053987 /nfs/dbraw/zinc/05/39/87/1185053987.db2.gz FMMLQJWRRDRZNM-CRAIPNDOSA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CCCC1 ZINC001270421307 1185091960 /nfs/dbraw/zinc/09/19/60/1185091960.db2.gz CZYMXPSXPRWRHD-SFHVURJKSA-N 2 0 333.520 2.396 10 30 EEEERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001482552274 1186668652 /nfs/dbraw/zinc/66/86/52/1186668652.db2.gz CMHGZSREODYAOK-ICSRJNTNSA-N 2 0 341.499 2.110 10 30 EEEERP C=CCOCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001272053551 1187287504 /nfs/dbraw/zinc/28/75/04/1187287504.db2.gz NOYLSOOBCUIZKV-OTWHNJEPSA-N 2 0 349.519 2.129 10 30 EEEERP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001272773079 1193490857 /nfs/dbraw/zinc/49/08/57/1193490857.db2.gz JDSXZFMVANDVNC-UONOGXRCSA-N 2 0 346.313 2.252 10 30 EEEERP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001691556716 1188261670 /nfs/dbraw/zinc/26/16/70/1188261670.db2.gz IXJJDRZKAZKNOS-RBUKOAKNSA-N 2 0 329.488 2.489 10 30 EEEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001691661394 1193611543 /nfs/dbraw/zinc/61/15/43/1193611543.db2.gz RZGQNYUUNFNPLI-SJORKVTESA-N 2 0 330.476 2.253 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001425645388 1189641551 /nfs/dbraw/zinc/64/15/51/1189641551.db2.gz CKLPKEAJTYONBD-CJNGLKHVSA-N 2 0 333.879 2.388 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC001483914825 1191114919 /nfs/dbraw/zinc/11/49/19/1191114919.db2.gz RMTCKNHEJVQHDS-VQIMIIECSA-N 2 0 342.487 2.368 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CC2CC2)CC1 ZINC001483988286 1191143860 /nfs/dbraw/zinc/14/38/60/1191143860.db2.gz VTXGDSLVUZSPFU-ICSRJNTNSA-N 2 0 343.515 2.340 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484344306 1191312325 /nfs/dbraw/zinc/31/23/25/1191312325.db2.gz UUTICFSVZKYNSS-LSDHHAIUSA-N 2 0 327.900 2.440 10 30 EEEERP C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001484688126 1191471432 /nfs/dbraw/zinc/47/14/32/1191471432.db2.gz GRFZPFUOOFKGTG-IRXDYDNUSA-N 2 0 337.508 2.033 10 30 EEEERP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001484715398 1191480037 /nfs/dbraw/zinc/48/00/37/1191480037.db2.gz OUEDKMOKIAEMEA-CABCVRRESA-N 2 0 333.879 2.390 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001485230188 1191699264 /nfs/dbraw/zinc/69/92/64/1191699264.db2.gz QSJOQWUKCIKAJI-UONOGXRCSA-N 2 0 334.439 2.020 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001272986208 1194294932 /nfs/dbraw/zinc/29/49/32/1194294932.db2.gz PZARGYANGHERRN-AWEZNQCLSA-N 2 0 346.450 2.024 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1C#N)C1CC1 ZINC001410321845 1197703097 /nfs/dbraw/zinc/70/30/97/1197703097.db2.gz DLXWPKYVBDUJQM-IBGZPJMESA-N 2 0 342.487 2.225 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCc2ccccc2)CC1 ZINC001275570277 1205421193 /nfs/dbraw/zinc/42/11/93/1205421193.db2.gz FAMTYTWSQFZCTD-QZTJIDSGSA-N 2 0 341.499 2.057 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN(C)CC#Cc1ccccc1 ZINC001275574040 1205423185 /nfs/dbraw/zinc/42/31/85/1205423185.db2.gz MRDXZCGRXFVZIA-ICSRJNTNSA-N 2 0 341.499 2.349 10 30 EEEERP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001275617730 1205446321 /nfs/dbraw/zinc/44/63/21/1205446321.db2.gz UQJGXKRNTMUCBT-LMDPOFIKSA-N 2 0 333.520 2.491 10 30 EEEERP C[N@@H+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001490163639 1290990252 /nfs/dbraw/zinc/99/02/52/1290990252.db2.gz CBRHOGBKJZZUTE-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001491171153 1299651375 /nfs/dbraw/zinc/65/13/75/1299651375.db2.gz YZHACBGYHLVONH-HKUYNNGSSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001277325327 1302414367 /nfs/dbraw/zinc/41/43/67/1302414367.db2.gz ZIVKRTWQGPOXGW-YQQQUEKLSA-N 2 0 331.504 2.387 10 30 EEEERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001277921482 1305109180 /nfs/dbraw/zinc/10/91/80/1305109180.db2.gz GWJZYUGJRSQZRF-OAHLLOKOSA-N 2 0 335.879 2.080 10 30 EEEERP C#CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCCC=C)CC1 ZINC001278151499 1306112456 /nfs/dbraw/zinc/11/24/56/1306112456.db2.gz STKQATPXLHWKJP-FQEVSTJZSA-N 2 0 343.515 2.221 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001278677190 1317684617 /nfs/dbraw/zinc/68/46/17/1317684617.db2.gz FLSVNRRBHFIMHH-OAQYLSRUSA-N 2 0 341.499 2.208 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001264519608 1322722675 /nfs/dbraw/zinc/72/26/75/1322722675.db2.gz ADBGEVYOCJZHJP-GOEBONIOSA-N 2 0 327.900 2.442 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001264519607 1322722778 /nfs/dbraw/zinc/72/27/78/1322722778.db2.gz ADBGEVYOCJZHJP-GDBMZVCRSA-N 2 0 327.900 2.442 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC001265596461 1323253684 /nfs/dbraw/zinc/25/36/84/1323253684.db2.gz CTZAPWIDOBFUQZ-HXUWFJFHSA-N 2 0 341.499 2.207 10 30 EEEERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265790676 1323382525 /nfs/dbraw/zinc/38/25/25/1323382525.db2.gz QHXYYRJXBLUGTK-MAUKXSAKSA-N 2 0 347.890 2.270 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCCC2CCCC2)CC1 ZINC001265869806 1323443415 /nfs/dbraw/zinc/44/34/15/1323443415.db2.gz CFZACOUNOVNMSV-QGZVFWFLSA-N 2 0 333.520 2.396 10 30 EEEERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001266070412 1323626412 /nfs/dbraw/zinc/62/64/12/1323626412.db2.gz SMBLEQMJNJBVIR-MRXNPFEDSA-N 2 0 334.489 2.042 10 30 EEEERP C#CCC[NH+]1CCC(CCCCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001281063561 1324749501 /nfs/dbraw/zinc/74/95/01/1324749501.db2.gz QUHKRDQSQRMDCA-UHFFFAOYSA-N 2 0 345.531 2.494 10 30 EEEERP C=CC[NH2+]CCCOC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001282592695 1325748238 /nfs/dbraw/zinc/74/82/38/1325748238.db2.gz CDRBRGAWPKREIR-UHFFFAOYSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001282957982 1325853534 /nfs/dbraw/zinc/85/35/34/1325853534.db2.gz JWJQEPJGYQMVHS-IPMKNSEASA-N 2 0 331.504 2.102 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C(F)(F)F ZINC001284377591 1326528086 /nfs/dbraw/zinc/52/80/86/1326528086.db2.gz YGHSOAQTZSWFAS-GJZGRUSLSA-N 2 0 347.425 2.131 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001491834645 1330268637 /nfs/dbraw/zinc/26/86/37/1330268637.db2.gz KUFGEQGULBNJJF-YJBOKZPZSA-N 2 0 325.472 2.213 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(F)cc1C ZINC001316829428 1331919161 /nfs/dbraw/zinc/91/91/61/1331919161.db2.gz RHFMKXDWEGBBOA-IBGZPJMESA-N 2 0 345.462 2.170 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@H+](C)CCCC=C)C2)CC1 ZINC001317042553 1332056632 /nfs/dbraw/zinc/05/66/32/1332056632.db2.gz FXFDRXYSCIKPAA-IBGZPJMESA-N 2 0 345.531 2.468 10 30 EEEERP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001317099289 1332078266 /nfs/dbraw/zinc/07/82/66/1332078266.db2.gz AGZNWSCESWJHQF-OALUTQOASA-N 2 0 331.504 2.199 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317138203 1332095426 /nfs/dbraw/zinc/09/54/26/1332095426.db2.gz MMHANMMJCGVMQV-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001317413454 1332219000 /nfs/dbraw/zinc/21/90/00/1332219000.db2.gz BHSDZWDZTIHPKT-NVXWUHKLSA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2CCC=C)CC1 ZINC001317435111 1332238605 /nfs/dbraw/zinc/23/86/05/1332238605.db2.gz PKKHUZRTHQXFMH-LJQANCHMSA-N 2 0 331.504 2.269 10 30 EEEERP C#CC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001317883612 1332440847 /nfs/dbraw/zinc/44/08/47/1332440847.db2.gz CVTRQDWVEVRVOF-IBGZPJMESA-N 2 0 333.520 2.301 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001318894248 1332618826 /nfs/dbraw/zinc/61/88/26/1332618826.db2.gz DNPUFOBBNSSDJV-UHFFFAOYSA-N 2 0 338.455 2.498 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1Cl ZINC001321418864 1333100490 /nfs/dbraw/zinc/10/04/90/1333100490.db2.gz KXFCIQZQKRPTKZ-VOTSOKGWSA-N 2 0 347.890 2.294 10 30 EEEERP C#CCN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC[NH+](CC=C)CC1 ZINC001324420166 1333678813 /nfs/dbraw/zinc/67/88/13/1333678813.db2.gz NMSJCZPRLBAFSP-HXUWFJFHSA-N 2 0 349.494 2.311 10 30 EEEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001325766840 1333956638 /nfs/dbraw/zinc/95/66/38/1333956638.db2.gz RLYHPRDNOULCPQ-QRQLOZEOSA-N 2 0 333.520 2.463 10 30 EEEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001330599892 1334875420 /nfs/dbraw/zinc/87/54/20/1334875420.db2.gz VAJWMYBEDNOFFY-KZNAEPCWSA-N 2 0 331.504 2.149 10 30 EEEERP C=CCCC[N@@H+]1CC[C@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001332114074 1335732627 /nfs/dbraw/zinc/73/26/27/1335732627.db2.gz UQSRRTLSGANNTC-AZUAARDMSA-N 2 0 349.519 2.177 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001332898303 1335926815 /nfs/dbraw/zinc/92/68/15/1335926815.db2.gz IJMXGBJNYZGQLD-IAGOWNOFSA-N 2 0 339.524 2.041 10 30 EEEERP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001351862215 1337857880 /nfs/dbraw/zinc/85/78/80/1337857880.db2.gz UIUXWIWHSSVQFF-IXDOHACOSA-N 2 0 346.523 2.192 10 30 EEEERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567059492 1342689044 /nfs/dbraw/zinc/68/90/44/1342689044.db2.gz OQCBTOUWWIZUQE-AZUAARDMSA-N 2 0 341.499 2.395 10 30 EEEERP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001569621794 1342910626 /nfs/dbraw/zinc/91/06/26/1342910626.db2.gz ITMBNCDMXMHRQU-UYAOXDASSA-N 2 0 333.520 2.445 10 30 EEEERP C=CCOCC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001571332038 1343185468 /nfs/dbraw/zinc/18/54/68/1343185468.db2.gz QDZAUWZGVCQNDV-RBUKOAKNSA-N 2 0 349.519 2.129 10 30 EEEERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001571649551 1343261718 /nfs/dbraw/zinc/26/17/18/1343261718.db2.gz JKBDBCHEZGHMIR-SFHVURJKSA-N 2 0 341.499 2.207 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001649451828 1353512704 /nfs/dbraw/zinc/51/27/04/1353512704.db2.gz VWCQATPCQFWXDS-MRXNPFEDSA-N 2 0 342.487 2.417 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]Cc2ccccc2)CC1 ZINC001668320444 1355923324 /nfs/dbraw/zinc/92/33/24/1355923324.db2.gz RFKVPPKFVWWQMA-KRWDZBQOSA-N 2 0 327.472 2.016 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001669930537 1356242575 /nfs/dbraw/zinc/24/25/75/1356242575.db2.gz OJLLFVBKZLFVEP-MSOLQXFVSA-N 2 0 335.536 2.450 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001672890946 1356608383 /nfs/dbraw/zinc/60/83/83/1356608383.db2.gz QESGSAMXSUVSLD-QGZVFWFLSA-N 2 0 342.487 2.228 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@H](C)CCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001675916186 1357069464 /nfs/dbraw/zinc/06/94/64/1357069464.db2.gz TUNTZKLDKHAFPF-QUCCMNQESA-N 2 0 343.515 2.499 10 30 EEEERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001698621855 1405012792 /nfs/dbraw/zinc/01/27/92/1405012792.db2.gz ZGGFRDFSSFSEOF-PKOBYXMFSA-N 2 0 345.462 2.003 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC000939808482 777422426 /nfs/dbraw/zinc/42/24/26/777422426.db2.gz DWFGWRUXZILCBF-QFBILLFUSA-N 2 0 345.531 2.204 10 30 EEEERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001438707669 1091221178 /nfs/dbraw/zinc/22/11/78/1091221178.db2.gz WHKWKPBNOPQMMY-RDTXWAMCSA-N 2 0 348.466 2.220 10 30 EEEERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001440843235 1094100253 /nfs/dbraw/zinc/10/02/53/1094100253.db2.gz YGTOBZKLMKOHNP-IAGOWNOFSA-N 2 0 342.487 2.273 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001441571204 1095339954 /nfs/dbraw/zinc/33/99/54/1095339954.db2.gz SEFGJTGUEJNYTO-RDBSUJKOSA-N 2 0 346.313 2.062 10 30 EEEERP C[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001443123216 1097543525 /nfs/dbraw/zinc/54/35/25/1097543525.db2.gz NHFBXDUNWMHXSP-MRXNPFEDSA-N 2 0 342.487 2.227 10 30 EEEERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001443870981 1098396034 /nfs/dbraw/zinc/39/60/34/1098396034.db2.gz FSJLPNBPPNAZRG-IBGZPJMESA-N 2 0 340.471 2.077 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001480305467 1100024861 /nfs/dbraw/zinc/02/48/61/1100024861.db2.gz CVFZHCASZCQNRV-LJQANCHMSA-N 2 0 342.487 2.227 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CCCC)CC1 ZINC001496431887 1101024089 /nfs/dbraw/zinc/02/40/89/1101024089.db2.gz XLMNCEBGEWCEDL-IBGZPJMESA-N 2 0 333.520 2.493 10 30 EEEERP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001496572315 1101172114 /nfs/dbraw/zinc/17/21/14/1101172114.db2.gz BGNCRCDIPLPJIN-RBUKOAKNSA-N 2 0 342.487 2.273 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)CC1CC[NH+](C)CC1 ZINC001497464447 1102531529 /nfs/dbraw/zinc/53/15/29/1102531529.db2.gz NQQZAFVONWFWBH-UHFFFAOYSA-N 2 0 341.499 2.208 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C#N)s1 ZINC001447773056 1103287584 /nfs/dbraw/zinc/28/75/84/1103287584.db2.gz UFGPACRRQNALDW-OAHLLOKOSA-N 2 0 348.516 2.383 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001448031940 1103842329 /nfs/dbraw/zinc/84/23/29/1103842329.db2.gz FMYYVQOQAZDGED-QFBILLFUSA-N 2 0 342.487 2.369 10 30 EEEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001495058076 1104695296 /nfs/dbraw/zinc/69/52/96/1104695296.db2.gz MQJHIHPSEOCDMP-CZUORRHYSA-N 2 0 333.879 2.436 10 30 EEEERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001480676174 1106862236 /nfs/dbraw/zinc/86/22/36/1106862236.db2.gz LBPMAEIXNCAQLQ-KRWDZBQOSA-N 2 0 342.487 2.228 10 30 EEEERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001498113984 1106938661 /nfs/dbraw/zinc/93/86/61/1106938661.db2.gz AFMVDVVAXVTQSJ-YOEHRIQHSA-N 2 0 335.879 2.126 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1CC ZINC001498901562 1108299473 /nfs/dbraw/zinc/29/94/73/1108299473.db2.gz GMYHPWNGTBPOGJ-MJGOQNOKSA-N 2 0 333.520 2.347 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCOCC1 ZINC001500586799 1112958360 /nfs/dbraw/zinc/95/83/60/1112958360.db2.gz KLQDTZDBTQWXBR-UHFFFAOYSA-N 2 0 339.524 2.186 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001501722799 1113449805 /nfs/dbraw/zinc/44/98/05/1113449805.db2.gz IEIOUPHFLAHTLC-RUCARUNLSA-N 2 0 327.472 2.260 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001502058643 1113572753 /nfs/dbraw/zinc/57/27/53/1113572753.db2.gz VZWQBUSQMVREPY-RBUKOAKNSA-N 2 0 349.519 2.177 10 30 EEEERP C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505682108 1114128742 /nfs/dbraw/zinc/12/87/42/1114128742.db2.gz QOJBJATVYBMTMS-KGLIPLIRSA-N 2 0 346.450 2.022 10 30 EEEERP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001506522766 1114671374 /nfs/dbraw/zinc/67/13/74/1114671374.db2.gz XRZBIGGGDYKNLN-ROUUACIJSA-N 2 0 331.504 2.435 10 30 EEEERP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001506924081 1114977260 /nfs/dbraw/zinc/97/72/60/1114977260.db2.gz LOKPRPLWLAYZOJ-GOSISDBHSA-N 2 0 341.499 2.397 10 30 EEEERP CC#CC[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1(C)C ZINC001507445405 1115273604 /nfs/dbraw/zinc/27/36/04/1115273604.db2.gz BSKMWGXPLFFHTQ-IBGZPJMESA-N 2 0 341.499 2.254 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c(F)c1 ZINC001508237055 1115457264 /nfs/dbraw/zinc/45/72/64/1115457264.db2.gz ZJVMVLBGEJEFSH-PKOBYXMFSA-N 2 0 345.462 2.285 10 30 EEEERP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001568427409 1124495121 /nfs/dbraw/zinc/49/51/21/1124495121.db2.gz UKPDOKQJVWJXLN-CRAIPNDOSA-N 2 0 339.443 2.284 10 30 EEEERP CCC[N@H+](C)CC(=O)N(CC)CC[NH2+]CC#Cc1ccccc1Cl ZINC001568793458 1124806374 /nfs/dbraw/zinc/80/63/74/1124806374.db2.gz MGFIXPTVNLKTAE-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC2=CCCCC2)CC1 ZINC001568968711 1125005907 /nfs/dbraw/zinc/00/59/07/1125005907.db2.gz ADSDWWIDHMFXEF-SREVYHEPSA-N 2 0 329.488 2.094 10 30 EEEERP CCn1cc([C@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c2cnn(CC)c2)cn1 ZINC000295988610 465043311 /nfs/dbraw/zinc/04/33/11/465043311.db2.gz JSSYWGUTBSTIIS-HOTGVXAUSA-N 2 0 328.464 2.124 10 30 EEEERP C[C@@]1([NH2+]CC#CC[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)CCO[C@H]1C1CC1 ZINC000367465507 466356382 /nfs/dbraw/zinc/35/63/82/466356382.db2.gz ZXJNNQHQKMSYCN-JVSBHGNQSA-N 2 0 332.488 2.084 10 30 EEEERP CCO[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451549516 467259658 /nfs/dbraw/zinc/25/96/58/467259658.db2.gz WBYJLCPTWZPWFR-WTGUMLROSA-N 2 0 336.520 2.484 10 30 EEEERP N#CC1(C[C@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000528482282 467685566 /nfs/dbraw/zinc/68/55/66/467685566.db2.gz CHWLVPNMKIEERL-OTWHNJEPSA-N 2 0 325.456 2.105 10 30 EEEERP CCc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+](C)C)cc1 ZINC000594446449 468592928 /nfs/dbraw/zinc/59/29/28/468592928.db2.gz TVTMWTQTPAHWGX-QZTJIDSGSA-N 2 0 330.476 2.379 10 30 EEEERP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594914379 468721770 /nfs/dbraw/zinc/72/17/70/468721770.db2.gz HGTNFSUCTDLEFF-UHFFFAOYSA-N 2 0 326.488 2.357 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)CN1CC[NH+](C)CC1 ZINC000594918940 468723190 /nfs/dbraw/zinc/72/31/90/468723190.db2.gz CSEHZWSFJCUGBS-QGZVFWFLSA-N 2 0 326.488 2.215 10 30 EEEERP C=CCOc1ccc(C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)cc1 ZINC000663502574 471402368 /nfs/dbraw/zinc/40/23/68/471402368.db2.gz IUHCROATLJOBRI-UHFFFAOYSA-N 2 0 345.487 2.332 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(CC)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000663669284 471466113 /nfs/dbraw/zinc/46/61/13/471466113.db2.gz WFFLKXBIBFNMEC-MSOLQXFVSA-N 2 0 336.524 2.421 10 30 EEEERP C=CC[C@]1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662658103 472190022 /nfs/dbraw/zinc/19/00/22/472190022.db2.gz BFMXFGNWBZRJQZ-HXUWFJFHSA-N 2 0 327.472 2.466 10 30 EEEERP C[NH+]=C(NCCn1cc(C)cn1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000131922154 526366680 /nfs/dbraw/zinc/36/66/80/526366680.db2.gz NTBKUXDAIVQBGB-UHFFFAOYSA-N 2 0 346.523 2.154 10 30 EEEERP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001485650442 1191870275 /nfs/dbraw/zinc/87/02/75/1191870275.db2.gz MDYQXGWYUUORNW-VQIMIIECSA-N 2 0 345.487 2.143 10 30 EEEERP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001266882185 1177695794 /nfs/dbraw/zinc/69/57/94/1177695794.db2.gz DFMVQEAGNKNQQA-RTBURBONSA-N 2 0 340.471 2.123 10 30 EEEERP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC#Cc2ccccc2)CC1 ZINC001266984219 1178039776 /nfs/dbraw/zinc/03/97/76/1178039776.db2.gz SSQUGZXGMHDHDJ-GOSISDBHSA-N 2 0 341.499 2.253 10 30 EEEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267051029 1178154683 /nfs/dbraw/zinc/15/46/83/1178154683.db2.gz ZWTFPTOERCBMKT-INIZCTEOSA-N 2 0 339.443 2.285 10 30 EEEERP C[N@H+](CC#Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267102247 1178244821 /nfs/dbraw/zinc/24/48/21/1178244821.db2.gz YXQSVFUMXZZMSK-UXHICEINSA-N 2 0 339.483 2.055 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001691472683 1178906343 /nfs/dbraw/zinc/90/63/43/1178906343.db2.gz BYNAHVYJIYWZDD-NZSAHSFTSA-N 2 0 327.472 2.187 10 30 EEEERP CCC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268115839 1181761203 /nfs/dbraw/zinc/76/12/03/1181761203.db2.gz YVTWMVDPIWDEAO-SFHVURJKSA-N 2 0 329.488 2.207 10 30 EEEERP C[C@@H](C(=O)N(C)CC[NH2+]CC#Cc1ccccc1)[NH+]1CCCCCC1 ZINC001691499783 1182051084 /nfs/dbraw/zinc/05/10/84/1182051084.db2.gz CKQJODZTYHUICM-IBGZPJMESA-N 2 0 341.499 2.351 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001268413989 1182566022 /nfs/dbraw/zinc/56/60/22/1182566022.db2.gz PLOGLFIHPCXJAP-QAPCUYQASA-N 2 0 330.476 2.129 10 30 EEEERP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001481820649 1182750065 /nfs/dbraw/zinc/75/00/65/1182750065.db2.gz GWTDTIUUFVKEEF-OALUTQOASA-N 2 0 342.487 2.417 10 30 EEEERP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001269615184 1184439299 /nfs/dbraw/zinc/43/92/99/1184439299.db2.gz PFYOHNDZYCAHLD-OXQOHEQNSA-N 2 0 331.504 2.149 10 30 EEEERP CC[C@H](C(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)CC(C)C)[NH+](C)C ZINC001482388585 1185588448 /nfs/dbraw/zinc/58/84/48/1185588448.db2.gz YHDIDRYOKMRTII-VQTJNVASSA-N 2 0 343.515 2.499 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001271424350 1186209751 /nfs/dbraw/zinc/20/97/51/1186209751.db2.gz CZLXSAXCBVOMDG-QUCCMNQESA-N 2 0 341.499 2.011 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC[N@@H+](C)CCC)CC2)CC1 ZINC001482509098 1186426882 /nfs/dbraw/zinc/42/68/82/1186426882.db2.gz QLAONJWNNXCULW-UHFFFAOYSA-N 2 0 333.520 2.302 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001483019468 1188006632 /nfs/dbraw/zinc/00/66/32/1188006632.db2.gz KBNKDZKTYCBTGJ-RURPWVQCSA-N 2 0 331.504 2.316 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H](CC)c1ccccc1 ZINC001483019923 1188007464 /nfs/dbraw/zinc/00/74/64/1188007464.db2.gz RDMFHEPDYDSYLS-NNKPGIQBSA-N 2 0 339.483 2.497 10 30 EEEERP CC[C@H](C(=O)NC1CC(C[NH2+]Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001409269997 1188449595 /nfs/dbraw/zinc/44/95/95/1188449595.db2.gz DLARLBXYKNONIM-JFUPDXTOSA-N 2 0 346.450 2.022 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001483233506 1189668519 /nfs/dbraw/zinc/66/85/19/1189668519.db2.gz VGKZQGBOAMDASE-YJBOKZPZSA-N 2 0 328.460 2.027 10 30 EEEERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001485944243 1193653998 /nfs/dbraw/zinc/65/39/98/1193653998.db2.gz LGYLRFRGIATRAX-CRAIPNDOSA-N 2 0 349.906 2.468 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCc2ccccc2)CC1 ZINC001483422378 1190469451 /nfs/dbraw/zinc/46/94/51/1190469451.db2.gz WMMKIKDCFURXEC-SFHVURJKSA-N 2 0 341.499 2.011 10 30 EEEERP CN(CCC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)CC[NH+](C)C ZINC001483490015 1190509465 /nfs/dbraw/zinc/50/94/65/1190509465.db2.gz VPJSHADLEXKPSK-UHFFFAOYSA-N 2 0 335.879 2.081 10 30 EEEERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)C1CC1)[NH+](C)C ZINC001483601513 1190582739 /nfs/dbraw/zinc/58/27/39/1190582739.db2.gz PDPPVCKMMYVNEB-ZWKOTPCHSA-N 2 0 346.450 2.022 10 30 EEEERP C=CCOCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001483616450 1190592240 /nfs/dbraw/zinc/59/22/40/1190592240.db2.gz SBJNKCZCGDNRSC-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001279180469 1198405384 /nfs/dbraw/zinc/40/53/84/1198405384.db2.gz DVILDYUTCMYQRP-KBPBESRZSA-N 2 0 335.414 2.273 10 30 EEEERP C=C(Br)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001410949454 1198615191 /nfs/dbraw/zinc/61/51/91/1198615191.db2.gz FXOQPXGUIKDSNR-KGLIPLIRSA-N 2 0 346.313 2.110 10 30 EEEERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000867959887 1201715691 /nfs/dbraw/zinc/71/56/91/1201715691.db2.gz CUNQDQSOECBVQI-ORAYPTAESA-N 2 0 334.423 2.081 10 30 EEEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001275135089 1205265005 /nfs/dbraw/zinc/26/50/05/1205265005.db2.gz FYSGYPOUHFNEIE-MOPGFXCFSA-N 2 0 331.504 2.340 10 30 EEEERP CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000925848453 1206160032 /nfs/dbraw/zinc/16/00/32/1206160032.db2.gz AUIGJWBMUFAYOV-DLBZAZTESA-N 2 0 327.428 2.284 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000928656269 1206408441 /nfs/dbraw/zinc/40/84/41/1206408441.db2.gz PWOLFQWMMFKYDN-IBGZPJMESA-N 2 0 343.446 2.004 10 30 EEEERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001491296843 1258913141 /nfs/dbraw/zinc/91/31/41/1258913141.db2.gz GJAAAZICZOLMGN-VQIMIIECSA-N 2 0 342.487 2.227 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001489339621 1290524438 /nfs/dbraw/zinc/52/44/38/1290524438.db2.gz QUKYATNFLGLIOG-IBGZPJMESA-N 2 0 342.487 2.323 10 30 EEEERP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001490773337 1291715993 /nfs/dbraw/zinc/71/59/93/1291715993.db2.gz ZORXMFIQDZWCTM-GOEBONIOSA-N 2 0 327.900 2.251 10 30 EEEERP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001276838833 1299862204 /nfs/dbraw/zinc/86/22/04/1299862204.db2.gz BZSNDQGRBCBORC-OTWHNJEPSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001277294272 1302231170 /nfs/dbraw/zinc/23/11/70/1302231170.db2.gz JNZXNRIZIUNGSY-RBUKOAKNSA-N 2 0 331.504 2.199 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C(F)(F)F ZINC001278702627 1317793852 /nfs/dbraw/zinc/79/38/52/1317793852.db2.gz AUESPYUASVJFAO-KBPBESRZSA-N 2 0 335.414 2.131 10 30 EEEERP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001262970679 1322410527 /nfs/dbraw/zinc/41/05/27/1322410527.db2.gz PLEMRSMANAXJFX-DLBZAZTESA-N 2 0 346.523 2.194 10 30 EEEERP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001264126385 1322635610 /nfs/dbraw/zinc/63/56/10/1322635610.db2.gz UKCJGQHSABJLEV-ZWKOTPCHSA-N 2 0 339.524 2.136 10 30 EEEERP C=CC[NH+](CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001265176499 1322968068 /nfs/dbraw/zinc/96/80/68/1322968068.db2.gz ZKLHGVWWOJCQQW-SFHVURJKSA-N 2 0 325.472 2.356 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC=C(C)C)C2CC2)CC1 ZINC001265183919 1322974286 /nfs/dbraw/zinc/97/42/86/1322974286.db2.gz KJGJCMQIBNHLTP-UHFFFAOYSA-N 2 0 331.504 2.269 10 30 EEEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001265407136 1323135543 /nfs/dbraw/zinc/13/55/43/1323135543.db2.gz RDEIBAFQOZYJRT-OQIJWPOYSA-N 2 0 331.504 2.358 10 30 EEEERP C=CCC[C@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)CCC[NH+]1CCCC1)CO2 ZINC001280979453 1324691473 /nfs/dbraw/zinc/69/14/73/1324691473.db2.gz PEUKLHPGDXZJFS-ROUUACIJSA-N 2 0 349.519 2.177 10 30 EEEERP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001281073085 1324753559 /nfs/dbraw/zinc/75/35/59/1324753559.db2.gz UMRDHSYELZJQJG-FXAWDEMLSA-N 2 0 341.499 2.447 10 30 EEEERP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001282567154 1325742014 /nfs/dbraw/zinc/74/20/14/1325742014.db2.gz GYBNHISTUUTLOE-VQIMIIECSA-N 2 0 339.499 2.295 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001284095205 1326404214 /nfs/dbraw/zinc/40/42/14/1326404214.db2.gz DQRYCSPQQMLUGW-FGTMMUONSA-N 2 0 333.520 2.204 10 30 EEEERP CC#CC[NH+]1CCC(C2(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001284853444 1326745357 /nfs/dbraw/zinc/74/53/57/1326745357.db2.gz QTODVNBXFOXKNA-IAGOWNOFSA-N 2 0 331.504 2.243 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001316810969 1331907105 /nfs/dbraw/zinc/90/71/05/1331907105.db2.gz MNWLHEKVTNNHQN-SJORKVTESA-N 2 0 339.499 2.296 10 30 EEEERP CC[N@@H+](CC#Cc1ccccc1)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001316899644 1331964954 /nfs/dbraw/zinc/96/49/54/1331964954.db2.gz RITJXCJQKZUFBK-UHFFFAOYSA-N 2 0 341.499 2.208 10 30 EEEERP O=C(CCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001317069080 1332068285 /nfs/dbraw/zinc/06/82/85/1332068285.db2.gz DWFWWLSKARQAJY-FQEVSTJZSA-N 2 0 339.483 2.105 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCC(=C)C)CC1 ZINC001320185692 1332845249 /nfs/dbraw/zinc/84/52/49/1332845249.db2.gz RVGAFLOSIAOGLT-MOPGFXCFSA-N 2 0 331.504 2.172 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001321098558 1333019763 /nfs/dbraw/zinc/01/97/63/1333019763.db2.gz WQBZULVYIZIUIV-MPNWYJEXSA-N 2 0 346.500 2.256 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](C/C=C\Cl)CC1 ZINC001324397561 1333674836 /nfs/dbraw/zinc/67/48/36/1333674836.db2.gz QENFBYPNRQTRAD-CTHFIRIDSA-N 2 0 337.895 2.005 10 30 EEEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001324936971 1333790977 /nfs/dbraw/zinc/79/09/77/1333790977.db2.gz QWLWTZNJPRUJRT-WIYYLYMNSA-N 2 0 345.531 2.493 10 30 EEEERP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001325901863 1333990906 /nfs/dbraw/zinc/99/09/06/1333990906.db2.gz ZIONYXGGSQCVKK-MOPGFXCFSA-N 2 0 331.504 2.340 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@H]1C ZINC001331944453 1335683411 /nfs/dbraw/zinc/68/34/11/1335683411.db2.gz QLZJGQRAOIEHLD-APWZRJJASA-N 2 0 345.462 2.096 10 30 EEEERP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342254705 1337311921 /nfs/dbraw/zinc/31/19/21/1337311921.db2.gz YQJXXCWXGWEFMV-MRXNPFEDSA-N 2 0 346.523 2.240 10 30 EEEERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567059495 1342689061 /nfs/dbraw/zinc/68/90/61/1342689061.db2.gz OQCBTOUWWIZUQE-UYAOXDASSA-N 2 0 341.499 2.395 10 30 EEEERP CC#CC[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001676074428 1357100767 /nfs/dbraw/zinc/10/07/67/1357100767.db2.gz MHAQAIOLIUHSEL-UHFFFAOYSA-N 2 0 327.472 2.308 10 30 EEEERP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001677621445 1357375364 /nfs/dbraw/zinc/37/53/64/1357375364.db2.gz QNCZFDAQEOUUIP-RBUKOAKNSA-N 2 0 349.519 2.058 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001661690886 1354673196 /nfs/dbraw/zinc/67/31/96/1354673196.db2.gz XAGFYHKANBQAFV-CALCHBBNSA-N 2 0 347.890 2.269 10 30 EEEERP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001664309166 1355135350 /nfs/dbraw/zinc/13/53/50/1355135350.db2.gz HXCYFYCPZSSBEP-MOPGFXCFSA-N 2 0 342.487 2.227 10 30 EEEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001664436552 1355163448 /nfs/dbraw/zinc/16/34/48/1355163448.db2.gz FCGPAGRBXRQXFF-KRWDZBQOSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCCF)CC1 ZINC001671481208 1356347004 /nfs/dbraw/zinc/34/70/04/1356347004.db2.gz CWBHLXIBBKTLLL-KRWDZBQOSA-N 2 0 337.483 2.147 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001672970369 1356624701 /nfs/dbraw/zinc/62/47/01/1356624701.db2.gz WLPMQRIRUMXESR-IYARVYRRSA-N 2 0 331.504 2.150 10 30 EEEERP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001674812658 1356900245 /nfs/dbraw/zinc/90/02/45/1356900245.db2.gz UFOVDUDOYUHJQY-ACBHZAAOSA-N 2 0 333.520 2.489 10 30 EEEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001675599020 1357011919 /nfs/dbraw/zinc/01/19/19/1357011919.db2.gz LGJYCTAAHSCDOL-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001692121015 1404983393 /nfs/dbraw/zinc/98/33/93/1404983393.db2.gz MFAWJSWHEKMEGE-IRXDYDNUSA-N 2 0 325.472 2.050 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)c2sccc2C[NH+](C)C)cc1 ZINC001698717320 1405021554 /nfs/dbraw/zinc/02/15/54/1405021554.db2.gz GOZVPTCPDMJFJF-UHFFFAOYSA-N 2 0 341.480 2.463 10 30 EEEERP C=C(Br)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001699265694 1405306846 /nfs/dbraw/zinc/30/68/46/1405306846.db2.gz SGBBUAAPJGJBMB-NNTXTVRGSA-N 2 0 344.297 2.031 10 30 EEEERP C#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780390 779302133 /nfs/dbraw/zinc/30/21/33/779302133.db2.gz PTOJQTAXQUGIEI-OAHLLOKOSA-N 2 0 333.501 2.273 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000917137077 798112532 /nfs/dbraw/zinc/11/25/32/798112532.db2.gz KSFRWNVHKDXEMZ-GOSISDBHSA-N 2 0 345.491 2.024 10 30 EEEERP C=C(C)C[N@@H+](C)CCOCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001566059397 1125534118 /nfs/dbraw/zinc/53/41/18/1125534118.db2.gz QOVBAJMDUFAEFH-UHFFFAOYSA-N 2 0 344.459 2.239 10 30 EEEERP N#Cc1cccc(CN2CCCC[C@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001437054382 1088948989 /nfs/dbraw/zinc/94/89/89/1088948989.db2.gz YHMCUHMVJZNNCS-IBGZPJMESA-N 2 0 340.471 2.125 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001440268334 1093380669 /nfs/dbraw/zinc/38/06/69/1093380669.db2.gz YGWXERLIDQWWSE-QGZVFWFLSA-N 2 0 346.450 2.120 10 30 EEEERP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001440353534 1093508726 /nfs/dbraw/zinc/50/87/26/1093508726.db2.gz HJXLCMWPGKXHDA-CKEIUWERSA-N 2 0 345.890 2.436 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1 ZINC001441938006 1096132112 /nfs/dbraw/zinc/13/21/12/1096132112.db2.gz REKITJPYCFNNSD-GOSISDBHSA-N 2 0 342.487 2.227 10 30 EEEERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N)[NH+]1CCCC1 ZINC001442057943 1096270249 /nfs/dbraw/zinc/27/02/49/1096270249.db2.gz DCEJRORBTZDSPJ-LPHOPBHVSA-N 2 0 342.487 2.273 10 30 EEEERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1cc(F)ccc1C#N ZINC001444030626 1098550262 /nfs/dbraw/zinc/55/02/62/1098550262.db2.gz KSBCWPVKZMEEDC-MSOLQXFVSA-N 2 0 348.466 2.268 10 30 EEEERP CC#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)[C@H]21 ZINC001479613834 1098637321 /nfs/dbraw/zinc/63/73/21/1098637321.db2.gz OHZOUBVHQRWMFI-QRQLOZEOSA-N 2 0 333.520 2.347 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001479624734 1098649610 /nfs/dbraw/zinc/64/96/10/1098649610.db2.gz CTSJXIUJMYYZCR-HUUCEWRRSA-N 2 0 347.425 2.275 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001444797742 1099712109 /nfs/dbraw/zinc/71/21/09/1099712109.db2.gz WQXPRVXQZBLNMU-APWZRJJASA-N 2 0 342.487 2.225 10 30 EEEERP C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496144907 1102132766 /nfs/dbraw/zinc/13/27/66/1102132766.db2.gz JNHTYQDZTZSRKY-FCEWJHQRSA-N 2 0 342.487 2.225 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CCC[NH+](C)C ZINC001497257053 1102205894 /nfs/dbraw/zinc/20/58/94/1102205894.db2.gz RFXLFKPBDMLZAV-MRXNPFEDSA-N 2 0 333.451 2.003 10 30 EEEERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]Cc3cccc(C#N)c3)C2)CCC1 ZINC001447795736 1103354520 /nfs/dbraw/zinc/35/45/20/1103354520.db2.gz ARDYERHORJXCDR-UHFFFAOYSA-N 2 0 340.471 2.027 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001495058077 1104695736 /nfs/dbraw/zinc/69/57/36/1104695736.db2.gz MQJHIHPSEOCDMP-XJKSGUPXSA-N 2 0 333.879 2.436 10 30 EEEERP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001480715396 1106945355 /nfs/dbraw/zinc/94/53/55/1106945355.db2.gz VUSZKPWCSPBBLV-HXUWFJFHSA-N 2 0 341.499 2.331 10 30 EEEERP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001480715394 1106947647 /nfs/dbraw/zinc/94/76/47/1106947647.db2.gz VUSZKPWCSPBBLV-FQEVSTJZSA-N 2 0 341.499 2.331 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CCC)CC1 ZINC001500054610 1112594999 /nfs/dbraw/zinc/59/49/99/1112594999.db2.gz RUXFSQASBJFGGT-HKUYNNGSSA-N 2 0 333.520 2.443 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCCC)C3)CC1 ZINC001501012946 1113166505 /nfs/dbraw/zinc/16/65/05/1113166505.db2.gz FQDWODLEDGMYCQ-SXLOBPIMSA-N 2 0 345.531 2.491 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501651408 1113415957 /nfs/dbraw/zinc/41/59/57/1113415957.db2.gz OOWCTFRQBVBYQV-LJQANCHMSA-N 2 0 342.487 2.227 10 30 EEEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001501746888 1113460253 /nfs/dbraw/zinc/46/02/53/1113460253.db2.gz VNJRTNFQUWIEQG-QGZVFWFLSA-N 2 0 331.504 2.361 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]C[C@H](C)CC)CC2)CC1 ZINC001502811179 1113808664 /nfs/dbraw/zinc/80/86/64/1113808664.db2.gz OEFNFCFXZFXLHW-QGZVFWFLSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)Cc2ccsc2)CC1 ZINC001506065433 1114390005 /nfs/dbraw/zinc/39/00/05/1114390005.db2.gz OXKXLZFSVPEHTM-HNNXBMFYSA-N 2 0 333.501 2.030 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001568063830 1124268934 /nfs/dbraw/zinc/26/89/34/1124268934.db2.gz SAOIKWGLBTXLHK-GOSISDBHSA-N 2 0 333.520 2.350 10 30 EEEERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001568646130 1124658608 /nfs/dbraw/zinc/65/86/08/1124658608.db2.gz NHVVLLPMNGYISI-SUMWQHHRSA-N 2 0 334.439 2.022 10 30 EEEERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597126402 468451988 /nfs/dbraw/zinc/45/19/88/468451988.db2.gz BNVBUVSQQGIYCQ-UHFFFAOYSA-N 2 0 326.488 2.311 10 30 EEEERP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594440722 468589356 /nfs/dbraw/zinc/58/93/56/468589356.db2.gz IDTDJHWBWGAOCS-IBGZPJMESA-N 2 0 342.487 2.441 10 30 EEEERP C=CC[C@@]1(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCC[NH2+]1 ZINC000662759490 472239649 /nfs/dbraw/zinc/23/96/49/472239649.db2.gz YEGUJWIUIXXFHZ-FQEVSTJZSA-N 2 0 342.487 2.071 10 30 EEEERP C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262329081 685367054 /nfs/dbraw/zinc/36/70/54/685367054.db2.gz AOHGJUDDHXFACW-MHGNSNQHSA-N 2 0 336.524 2.370 10 30 EEEERP CC[NH+]=C(NCC[N@H+](C)C1CCCCC1)N1CC[C@]2(CCOC2)C1 ZINC000261935906 682427149 /nfs/dbraw/zinc/42/71/49/682427149.db2.gz CKQTUUSIGCKJPP-IBGZPJMESA-N 2 0 336.524 2.329 10 30 EEEERP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CN(CC)CCO1 ZINC001266247172 1176020226 /nfs/dbraw/zinc/02/02/26/1176020226.db2.gz FDXWAQXGLWSRKC-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001691251354 1177772101 /nfs/dbraw/zinc/77/21/01/1177772101.db2.gz VBPONUHZKFSLFJ-DAYGRLMNSA-N 2 0 325.472 2.259 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)C/C=C/Cl)C2)CC1 ZINC001267115498 1178277979 /nfs/dbraw/zinc/27/79/79/1178277979.db2.gz VJCHPLCQEILJLD-HFTQHKIXSA-N 2 0 337.895 2.007 10 30 EEEERP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001267314322 1178740632 /nfs/dbraw/zinc/74/06/32/1178740632.db2.gz NIBBQLMCTPIENK-UHFFFAOYSA-N 2 0 341.499 2.351 10 30 EEEERP CCN(CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001480993078 1179444296 /nfs/dbraw/zinc/44/42/96/1179444296.db2.gz MMIVMYCHOXYFNQ-GOSISDBHSA-N 2 0 347.890 2.224 10 30 EEEERP C=CCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001481059782 1179652082 /nfs/dbraw/zinc/65/20/82/1179652082.db2.gz PIKJLEHCIFNRPH-QZTJIDSGSA-N 2 0 337.508 2.033 10 30 EEEERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267809222 1180563138 /nfs/dbraw/zinc/56/31/38/1180563138.db2.gz HHCXFWUJLRGWKI-RTBURBONSA-N 2 0 345.462 2.146 10 30 EEEERP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCCC1 ZINC001268039150 1181390834 /nfs/dbraw/zinc/39/08/34/1181390834.db2.gz VRWSEHBQJRLTFU-SFHVURJKSA-N 2 0 331.504 2.435 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]Cc2ccsc2)C(C)C)CC1 ZINC001268228787 1182044266 /nfs/dbraw/zinc/04/42/66/1182044266.db2.gz XIWVVGJEUQINLK-SFHVURJKSA-N 2 0 347.528 2.324 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001268649863 1183578021 /nfs/dbraw/zinc/57/80/21/1183578021.db2.gz SNOXZUUIRYFYIL-QAPCUYQASA-N 2 0 349.906 2.372 10 30 EEEERP CN(CCC[NH2+]Cc1ccc(C#N)cc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001268848138 1183764310 /nfs/dbraw/zinc/76/43/10/1183764310.db2.gz RMLHVSCGKFWVQL-UHFFFAOYSA-N 2 0 344.503 2.474 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]CCc2ccccc2)CC1 ZINC001268958782 1183851161 /nfs/dbraw/zinc/85/11/61/1183851161.db2.gz OYCWRHLVONFNDA-UHFFFAOYSA-N 2 0 341.499 2.012 10 30 EEEERP C#CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCC=C)CC1 ZINC001270364423 1185048756 /nfs/dbraw/zinc/04/87/56/1185048756.db2.gz PAQHLNKOWXDZNI-HDICACEKSA-N 2 0 331.504 2.362 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001482329879 1185412253 /nfs/dbraw/zinc/41/22/53/1185412253.db2.gz FOUWCOUJECUMHP-XJKSGUPXSA-N 2 0 333.879 2.388 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C)CC1 ZINC001271939062 1186650767 /nfs/dbraw/zinc/65/07/67/1186650767.db2.gz BZDFKULUIJYVNH-GOSISDBHSA-N 2 0 335.536 2.498 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)CC1CC[NH+](C)CC1 ZINC001482877256 1187796414 /nfs/dbraw/zinc/79/64/14/1187796414.db2.gz OEFGUSOQWOJFJP-AWEZNQCLSA-N 2 0 348.516 2.336 10 30 EEEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001670933304 1193529044 /nfs/dbraw/zinc/52/90/44/1193529044.db2.gz SABPTSWLVDKILQ-YQQQUEKLSA-N 2 0 343.515 2.387 10 30 EEEERP CN(CCC[NH2+]Cc1cccc(C#N)c1)C(=O)C12CCC[NH+]1CCC2 ZINC001483476224 1190498446 /nfs/dbraw/zinc/49/84/46/1190498446.db2.gz WXIRICJEXHMLEE-UHFFFAOYSA-N 2 0 340.471 2.125 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483930156 1191122011 /nfs/dbraw/zinc/12/20/11/1191122011.db2.gz ZDOWCPBWHDUCDX-HKUYNNGSSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@H](C)[NH2+]CCCCC)C2)CC1 ZINC001484359206 1191315255 /nfs/dbraw/zinc/31/52/55/1191315255.db2.gz SVHCAHHXARUXKZ-HKUYNNGSSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001484715400 1191480318 /nfs/dbraw/zinc/48/03/18/1191480318.db2.gz OUEDKMOKIAEMEA-HUUCEWRRSA-N 2 0 333.879 2.390 10 30 EEEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001484923385 1191576637 /nfs/dbraw/zinc/57/66/37/1191576637.db2.gz NSFQMCMIOFUHBE-LJQANCHMSA-N 2 0 337.483 2.193 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCCC3CCC3)C2)CC1 ZINC001485110452 1191657598 /nfs/dbraw/zinc/65/75/98/1191657598.db2.gz JALNWCYTIYVIBH-UHFFFAOYSA-N 2 0 345.531 2.396 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]C[C@@H](C)CC)CC1 ZINC001485266176 1191711292 /nfs/dbraw/zinc/71/12/92/1191711292.db2.gz UFBYEICSBBNPEJ-KRWDZBQOSA-N 2 0 335.536 2.452 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001410380788 1197776283 /nfs/dbraw/zinc/77/62/83/1197776283.db2.gz MGPOAXPMOOZRPA-UONOGXRCSA-N 2 0 346.313 2.206 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001410436067 1197886941 /nfs/dbraw/zinc/88/69/41/1197886941.db2.gz JKBFPUNPTQEOJO-ZDUSSCGKSA-N 2 0 346.313 2.206 10 30 EEEERP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001273286382 1197957088 /nfs/dbraw/zinc/95/70/88/1197957088.db2.gz SJFJMIWJQNKXKC-SFHVURJKSA-N 2 0 349.519 2.178 10 30 EEEERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000872229983 1198100405 /nfs/dbraw/zinc/10/04/05/1198100405.db2.gz UPXSTAYKMLWXHY-FDYSRKEFSA-N 2 0 345.487 2.345 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000876741337 1199750796 /nfs/dbraw/zinc/75/07/96/1199750796.db2.gz QMUWJAXZAMDKPY-SJORKVTESA-N 2 0 335.879 2.137 10 30 EEEERP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001274368386 1205012119 /nfs/dbraw/zinc/01/21/19/1205012119.db2.gz MYHOLPSVXUMZJP-GOSISDBHSA-N 2 0 331.504 2.387 10 30 EEEERP C=CCN1CCc2ccccc2[C@H]1CNC(=O)CCc1cncn1C ZINC001274856011 1205188976 /nfs/dbraw/zinc/18/89/76/1205188976.db2.gz HZFFFSPWGJTNAI-LJQANCHMSA-N 2 0 338.455 2.254 10 30 EEEERP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001274960616 1205217982 /nfs/dbraw/zinc/21/79/82/1205217982.db2.gz RDUFPGWNSUTELX-RBUKOAKNSA-N 2 0 331.504 2.197 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001491080495 1258646638 /nfs/dbraw/zinc/64/66/38/1258646638.db2.gz OMHSIHCZCZLWOL-ZCNNSNEGSA-N 2 0 339.483 2.149 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CC=C(C)C)C2)CC1 ZINC001491189361 1258755227 /nfs/dbraw/zinc/75/52/27/1258755227.db2.gz BCZRETUIBCSPHA-SFHVURJKSA-N 2 0 331.504 2.126 10 30 EEEERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC#Cc1ccccc1Cl ZINC001491480478 1259124546 /nfs/dbraw/zinc/12/45/46/1259124546.db2.gz JQDWPAZSMMJVJU-HNNXBMFYSA-N 2 0 347.890 2.270 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCCC)C2)CC1 ZINC001490578989 1291473913 /nfs/dbraw/zinc/47/39/13/1291473913.db2.gz AIJZFNRIQOIFEG-IBGZPJMESA-N 2 0 333.520 2.493 10 30 EEEERP CC[NH+](CC)Cc1ccccc1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852857026 1292216370 /nfs/dbraw/zinc/21/63/70/1292216370.db2.gz IWDTZOTXOFRRIS-UHFFFAOYSA-N 2 0 327.472 2.148 10 30 EEEERP Cc1ccc([C@H](CNC(=O)C#CC2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000852863930 1292219614 /nfs/dbraw/zinc/21/96/14/1292219614.db2.gz UGPWTYOXHDCYLD-FQEVSTJZSA-N 2 0 339.483 2.251 10 30 EEEERP N#CC1(C[C@@H](O)C[NH2+]C2CCC([NH+]3CCCCC3)CC2)CCOCC1 ZINC000863552274 1296331930 /nfs/dbraw/zinc/33/19/30/1296331930.db2.gz QPLFDJWXHYVIAO-CTWPCTMYSA-N 2 0 349.519 2.444 10 30 EEEERP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001276878876 1300066859 /nfs/dbraw/zinc/06/68/59/1300066859.db2.gz RWFCXGXFXBHNKC-IAGOWNOFSA-N 2 0 342.487 2.414 10 30 EEEERP C#CCC[N@@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001277435741 1303003798 /nfs/dbraw/zinc/00/37/98/1303003798.db2.gz UOYARHZZWZTCNK-UHFFFAOYSA-N 2 0 327.472 2.308 10 30 EEEERP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCCC)CC1 ZINC001278194042 1306241840 /nfs/dbraw/zinc/24/18/40/1306241840.db2.gz FYYHUZJZCXNAGZ-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCC1 ZINC001278289032 1309042868 /nfs/dbraw/zinc/04/28/68/1309042868.db2.gz NBABGZNVWWVKQG-MOPGFXCFSA-N 2 0 333.520 2.395 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]Cc2ccccc2F)CC1 ZINC001276399713 1314742326 /nfs/dbraw/zinc/74/23/26/1314742326.db2.gz PMGBTTJHHITBSP-UHFFFAOYSA-N 2 0 345.462 2.109 10 30 EEEERP CC#CC[NH2+][C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001278532650 1317161657 /nfs/dbraw/zinc/16/16/57/1317161657.db2.gz HBLVYWBGUKYWAQ-YZGWKJHDSA-N 2 0 341.499 2.057 10 30 EEEERP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001279590430 1323951389 /nfs/dbraw/zinc/95/13/89/1323951389.db2.gz BATVFNXJPQIWDR-KRWDZBQOSA-N 2 0 328.460 2.160 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001282773593 1325781929 /nfs/dbraw/zinc/78/19/29/1325781929.db2.gz STEVFMXTBZNCCX-XLIONFOSSA-N 2 0 349.519 2.129 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001284737412 1326689650 /nfs/dbraw/zinc/68/96/50/1326689650.db2.gz LEZZWTIOVSLEOS-HUUCEWRRSA-N 2 0 347.425 2.417 10 30 EEEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001316660356 1329897307 /nfs/dbraw/zinc/89/73/07/1329897307.db2.gz MYHIWIWPWRJENF-FCEWJHQRSA-N 2 0 337.483 2.097 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001491682534 1330204327 /nfs/dbraw/zinc/20/43/27/1330204327.db2.gz MRVGVQSEFXEAQR-CZUORRHYSA-N 2 0 334.489 2.088 10 30 EEEERP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001316671276 1331063907 /nfs/dbraw/zinc/06/39/07/1331063907.db2.gz RAHVKIVVTKKSMM-SFHVURJKSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001318818669 1332604031 /nfs/dbraw/zinc/60/40/31/1332604031.db2.gz AXBCDWDRNNDRKM-GOSISDBHSA-N 2 0 341.499 2.256 10 30 EEEERP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC2 ZINC001319142390 1332655826 /nfs/dbraw/zinc/65/58/26/1332655826.db2.gz OYWHFLFGOIKWQQ-KRWDZBQOSA-N 2 0 337.483 2.004 10 30 EEEERP C#CCC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001319378931 1332692511 /nfs/dbraw/zinc/69/25/11/1332692511.db2.gz KHZBHGJHYRZCRV-UHFFFAOYSA-N 2 0 327.472 2.404 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321948215 1333184832 /nfs/dbraw/zinc/18/48/32/1333184832.db2.gz YPGPNMDDDBYASW-KRWDZBQOSA-N 2 0 327.472 2.007 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001328734013 1334510460 /nfs/dbraw/zinc/51/04/60/1334510460.db2.gz URGLDPPYDLJOMS-RTBURBONSA-N 2 0 331.504 2.340 10 30 EEEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001330444401 1334845005 /nfs/dbraw/zinc/84/50/05/1334845005.db2.gz FGVZZPVLGHTLQP-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001330916772 1334926452 /nfs/dbraw/zinc/92/64/52/1334926452.db2.gz OHPDSXBNOWROJW-YJBOKZPZSA-N 2 0 325.472 2.097 10 30 EEEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001331295648 1334992545 /nfs/dbraw/zinc/99/25/45/1334992545.db2.gz LPUXIJCOZCOUBO-SFHVURJKSA-N 2 0 333.520 2.489 10 30 EEEERP C=C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC001347870156 1337524231 /nfs/dbraw/zinc/52/42/31/1337524231.db2.gz DPWNUDFBCNBJQZ-GUDVDZBRSA-N 2 0 329.488 2.154 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668214027 1355900957 /nfs/dbraw/zinc/90/09/57/1355900957.db2.gz HOKMSDPXIZKMHY-IAGOWNOFSA-N 2 0 345.462 2.003 10 30 EEEERP CC#CC[NH+]1CCC(N(CCC)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001566699313 1342607118 /nfs/dbraw/zinc/60/71/18/1342607118.db2.gz HEZQJKDZZJXTEV-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)CC[NH+](C)C)C1 ZINC001567745491 1342832302 /nfs/dbraw/zinc/83/23/02/1342832302.db2.gz QUASKZWCWJEDHB-FQEVSTJZSA-N 2 0 341.499 2.455 10 30 EEEERP C#CC[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001570263243 1343044279 /nfs/dbraw/zinc/04/42/79/1343044279.db2.gz HJRFLPQZVKLMPB-UHFFFAOYSA-N 2 0 331.504 2.102 10 30 EEEERP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001570366210 1343062173 /nfs/dbraw/zinc/06/21/73/1343062173.db2.gz RVKUJKNTTLOIHM-DOTOQJQBSA-N 2 0 331.460 2.195 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CCCCCC)C2)CC1 ZINC001570863291 1343125329 /nfs/dbraw/zinc/12/53/29/1343125329.db2.gz BRNPIEFFCRXDHG-QGZVFWFLSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH2+]CCC[C@@H](NC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001571346791 1343192719 /nfs/dbraw/zinc/19/27/19/1343192719.db2.gz DYTDYYZYAKZJRF-LJQANCHMSA-N 2 0 339.483 2.475 10 30 EEEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC001671240615 1353429584 /nfs/dbraw/zinc/42/95/84/1353429584.db2.gz YMXUESDKVVVMGS-JKSUJKDBSA-N 2 0 339.443 2.426 10 30 EEEERP CC#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001649462168 1353518699 /nfs/dbraw/zinc/51/86/99/1353518699.db2.gz JDGPXMHPRVOWER-MOPGFXCFSA-N 2 0 333.520 2.302 10 30 EEEERP C=CCC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001673209694 1354183548 /nfs/dbraw/zinc/18/35/48/1354183548.db2.gz FSUBHQSUGBHZKP-SFHVURJKSA-N 2 0 325.472 2.404 10 30 EEEERP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001664008638 1355072971 /nfs/dbraw/zinc/07/29/71/1355072971.db2.gz KSMVRRHFIGGBIN-RBUKOAKNSA-N 2 0 340.471 2.123 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH2+]CCC=C)cc2)CC1 ZINC001666347224 1355514762 /nfs/dbraw/zinc/51/47/62/1355514762.db2.gz GRMDOBXHEWDHMW-UHFFFAOYSA-N 2 0 339.483 2.314 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)C12CCC[NH+]1CCC2 ZINC001668121859 1355877168 /nfs/dbraw/zinc/87/71/68/1355877168.db2.gz CKUXLUAFQKDKRW-INIZCTEOSA-N 2 0 340.471 2.171 10 30 EEEERP C[N@H+](CC(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001669039026 1356073815 /nfs/dbraw/zinc/07/38/15/1356073815.db2.gz ISNKINMSAIZGLR-AATRIKPKSA-N 2 0 342.487 2.298 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001698859977 1405116009 /nfs/dbraw/zinc/11/60/09/1405116009.db2.gz FXWMQNJOKGDMIJ-ROUUACIJSA-N 2 0 335.536 2.450 10 30 EEEERP C[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)Cc1ccc(C#N)cc1 ZINC001437480049 1089827954 /nfs/dbraw/zinc/82/79/54/1089827954.db2.gz BIXAKUMMPUNZQS-RBUKOAKNSA-N 2 0 340.471 2.123 10 30 EEEERP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001438259460 1090740858 /nfs/dbraw/zinc/74/08/58/1090740858.db2.gz KUCHYNAHCUIFNH-RTBURBONSA-N 2 0 342.487 2.321 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C#N)cc1 ZINC001445875725 1091802697 /nfs/dbraw/zinc/80/26/97/1091802697.db2.gz FPSHQGOJFKPVMH-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001439687732 1092633241 /nfs/dbraw/zinc/63/32/41/1092633241.db2.gz SKSLUGHOMIWGNX-CVEARBPZSA-N 2 0 327.900 2.394 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001441739374 1095728810 /nfs/dbraw/zinc/72/88/10/1095728810.db2.gz GMNLWULCXJRCJN-UHFFFAOYSA-N 2 0 348.516 2.477 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001441849669 1095935054 /nfs/dbraw/zinc/93/50/54/1095935054.db2.gz MYJHQASNUFWBCQ-CJNGLKHVSA-N 2 0 334.489 2.087 10 30 EEEERP CC#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)[C@@H]21 ZINC001479613831 1098635930 /nfs/dbraw/zinc/63/59/30/1098635930.db2.gz OHZOUBVHQRWMFI-BHIYHBOVSA-N 2 0 333.520 2.347 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001480022032 1099502936 /nfs/dbraw/zinc/50/29/36/1099502936.db2.gz UTLJXGMGNNGDAL-PKOBYXMFSA-N 2 0 331.504 2.149 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]Cc2ccccc2F)CC1 ZINC001495132949 1100799188 /nfs/dbraw/zinc/79/91/88/1100799188.db2.gz BAUDSOJHHVABKY-GOSISDBHSA-N 2 0 345.462 2.155 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001497196577 1102108962 /nfs/dbraw/zinc/10/89/62/1102108962.db2.gz AMFHSNCUXQTDPX-RHSMWYFYSA-N 2 0 348.516 2.479 10 30 EEEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001494161444 1103624966 /nfs/dbraw/zinc/62/49/66/1103624966.db2.gz UXJHLGVYPXGOFD-SFHVURJKSA-N 2 0 329.488 2.371 10 30 EEEERP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001447935667 1103639792 /nfs/dbraw/zinc/63/97/92/1103639792.db2.gz SKZZYVDPYUIBOR-SJORKVTESA-N 2 0 342.487 2.417 10 30 EEEERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060656 1103918568 /nfs/dbraw/zinc/91/85/68/1103918568.db2.gz JKFCJXGJDFIYSU-KSSFIOAISA-N 2 0 346.450 2.118 10 30 EEEERP C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC[NH+](CC2CC2)CC1 ZINC001500039764 1112588940 /nfs/dbraw/zinc/58/89/40/1112588940.db2.gz WSYKHIKKFCPXHW-GOSISDBHSA-N 2 0 331.504 2.197 10 30 EEEERP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](C/C=C/Cl)CC1 ZINC001500048370 1112592310 /nfs/dbraw/zinc/59/23/10/1112592310.db2.gz JDGOKMMHXXFNHS-UXBLZVDNSA-N 2 0 325.884 2.007 10 30 EEEERP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001501221577 1113249691 /nfs/dbraw/zinc/24/96/91/1113249691.db2.gz CQACIRDCLFXRGC-BBWFWOEESA-N 2 0 325.472 2.023 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001505735010 1114159047 /nfs/dbraw/zinc/15/90/47/1114159047.db2.gz JSKJAWZKRGEWBL-KGLIPLIRSA-N 2 0 334.439 2.022 10 30 EEEERP C#CC[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCCC1 ZINC001506534936 1114680948 /nfs/dbraw/zinc/68/09/48/1114680948.db2.gz ZODWVUAILMJDSP-UHFFFAOYSA-N 2 0 327.472 2.404 10 30 EEEERP C#CCC[N@@H+](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001506958932 1115006617 /nfs/dbraw/zinc/00/66/17/1115006617.db2.gz PLRFSSBPLYNVRG-UHFFFAOYSA-N 2 0 333.501 2.369 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001507011415 1115053060 /nfs/dbraw/zinc/05/30/60/1115053060.db2.gz DDYZEGCTCHYQPB-CVEARBPZSA-N 2 0 327.900 2.438 10 30 EEEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC001507431415 1115264845 /nfs/dbraw/zinc/26/48/45/1115264845.db2.gz MPNZGRGQMDRBAN-HKUYNNGSSA-N 2 0 345.531 2.491 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)CCc1ccccc1)C(C)(C)C ZINC001508023150 1115390719 /nfs/dbraw/zinc/39/07/19/1115390719.db2.gz NQJHCAICUAGXBQ-IBGZPJMESA-N 2 0 343.515 2.305 10 30 EEEERP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001568431308 1124499696 /nfs/dbraw/zinc/49/96/96/1124499696.db2.gz HITXYXYPNXHIKR-MJGOQNOKSA-N 2 0 333.520 2.347 10 30 EEEERP CCN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001568730700 1124745332 /nfs/dbraw/zinc/74/53/32/1124745332.db2.gz LENFKAOTPCQXHZ-GOSISDBHSA-N 2 0 347.890 2.224 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001568969602 1125006924 /nfs/dbraw/zinc/00/69/24/1125006924.db2.gz MWULCKRXEBHKCL-ONEGZZNKSA-N 2 0 343.515 2.174 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000172151029 464001319 /nfs/dbraw/zinc/00/13/19/464001319.db2.gz UXBZMRKTPCANQR-UHFFFAOYSA-N 2 0 348.466 2.337 10 30 EEEERP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181527077 464502381 /nfs/dbraw/zinc/50/23/81/464502381.db2.gz GDIUJYMXQXAVSA-LJQANCHMSA-N 2 0 326.488 2.454 10 30 EEEERP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594435417 468586072 /nfs/dbraw/zinc/58/60/72/468586072.db2.gz DVQVIVVECNYHKK-QZTJIDSGSA-N 2 0 328.460 2.131 10 30 EEEERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594443932 468590193 /nfs/dbraw/zinc/59/01/93/468590193.db2.gz JVNGIJFDKMVUHA-QGZVFWFLSA-N 2 0 334.439 2.127 10 30 EEEERP C[N@H+](CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000600714219 468630356 /nfs/dbraw/zinc/63/03/56/468630356.db2.gz KPNCCIRLBFTYMY-LJQANCHMSA-N 2 0 345.487 2.169 10 30 EEEERP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715772 468630827 /nfs/dbraw/zinc/63/08/27/468630827.db2.gz ILHCJBGXIWKZPK-FGTMMUONSA-N 2 0 337.508 2.015 10 30 EEEERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592521691 468719403 /nfs/dbraw/zinc/71/94/03/468719403.db2.gz APLDSYRGDDVBSB-FQEVSTJZSA-N 2 0 342.487 2.069 10 30 EEEERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)CC[NH2+]CC1 ZINC000564989514 469264000 /nfs/dbraw/zinc/26/40/00/469264000.db2.gz PHXDTUQUHWNCLL-OAHLLOKOSA-N 2 0 329.444 2.164 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000633041425 470329193 /nfs/dbraw/zinc/32/91/93/470329193.db2.gz NKJDSPPLRMDJTN-UHFFFAOYSA-N 2 0 334.508 2.297 10 30 EEEERP CC[NH+]=C(NC[C@@H]1CCC[C@H]1O)NC1CC[NH+](C2CCCC2)CC1 ZINC000262805022 688517521 /nfs/dbraw/zinc/51/75/21/688517521.db2.gz SKMOJNHCNMVDJH-MAUKXSAKSA-N 2 0 336.524 2.110 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CCCC(C)C)C2)CC1 ZINC001485540819 1191828773 /nfs/dbraw/zinc/82/87/73/1191828773.db2.gz UZLJPPCVFLKJEI-QGZVFWFLSA-N 2 0 333.520 2.204 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001266787000 1177427959 /nfs/dbraw/zinc/42/79/59/1177427959.db2.gz RGAOUTTYZPABBA-MOPGFXCFSA-N 2 0 345.531 2.493 10 30 EEEERP C#CCC[NH2+]C1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001266916334 1177793808 /nfs/dbraw/zinc/79/38/08/1177793808.db2.gz VWTQDQTZZLEVAC-UHFFFAOYSA-N 2 0 331.504 2.149 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001267088566 1178214151 /nfs/dbraw/zinc/21/41/51/1178214151.db2.gz MNNZYUUBNXTFLJ-RTBURBONSA-N 2 0 327.472 2.402 10 30 EEEERP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001267123961 1178291910 /nfs/dbraw/zinc/29/19/10/1178291910.db2.gz ZGXDIXLMDDJNEA-MAUKXSAKSA-N 2 0 347.890 2.270 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)CCC[NH+]1CCCC1)c1ccccc1 ZINC001267382996 1178939655 /nfs/dbraw/zinc/93/96/55/1178939655.db2.gz WRNRBUISTYMKTI-IBGZPJMESA-N 2 0 327.472 2.333 10 30 EEEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001267491634 1179165290 /nfs/dbraw/zinc/16/52/90/1179165290.db2.gz LKQCAEXVKMDNQH-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481988995 1183093908 /nfs/dbraw/zinc/09/39/08/1183093908.db2.gz WLELPPFYKZKDIG-HZPDHXFCSA-N 2 0 327.900 2.299 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001482171738 1183497977 /nfs/dbraw/zinc/49/79/77/1183497977.db2.gz HOFPQEUYUBYWCK-MSOLQXFVSA-N 2 0 341.499 2.435 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001269621942 1184447425 /nfs/dbraw/zinc/44/74/25/1184447425.db2.gz VHYSFIXEZPMEIT-IBGZPJMESA-N 2 0 331.504 2.195 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CCC)cc1 ZINC001270065840 1184823432 /nfs/dbraw/zinc/82/34/32/1184823432.db2.gz ZARWSBFABLPATG-IBGZPJMESA-N 2 0 327.472 2.290 10 30 EEEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001271892289 1186586102 /nfs/dbraw/zinc/58/61/02/1186586102.db2.gz RDDARLWGCHFEJP-AKHDSKFASA-N 2 0 333.520 2.463 10 30 EEEERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483272245 1190296416 /nfs/dbraw/zinc/29/64/16/1190296416.db2.gz PYBRFRJOAXKTRZ-WMLDXEAASA-N 2 0 348.516 2.477 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC001486084832 1193677215 /nfs/dbraw/zinc/67/72/15/1193677215.db2.gz OKFMYDHQWVWDSO-WBVHZDCISA-N 2 0 339.443 2.426 10 30 EEEERP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001484322097 1191303902 /nfs/dbraw/zinc/30/39/02/1191303902.db2.gz AONHMNUFJNYNBJ-GOSISDBHSA-N 2 0 333.520 2.465 10 30 EEEERP C#CCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001484772536 1191514862 /nfs/dbraw/zinc/51/48/62/1191514862.db2.gz WFJISBPPDBJTJW-OALUTQOASA-N 2 0 333.520 2.445 10 30 EEEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCO1 ZINC001273321863 1198126188 /nfs/dbraw/zinc/12/61/88/1198126188.db2.gz ACYNWJADHIYGCI-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP C=C(Br)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001437020930 1198469865 /nfs/dbraw/zinc/46/98/65/1198469865.db2.gz LFWFOXYPVBEYCO-ZIAGYGMSSA-N 2 0 346.313 2.063 10 30 EEEERP C=C(C[NH+](C)C)C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000870185374 1200540759 /nfs/dbraw/zinc/54/07/59/1200540759.db2.gz NYYIGIDXOFGTTM-UHFFFAOYSA-N 2 0 327.472 2.110 10 30 EEEERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001274519571 1205065603 /nfs/dbraw/zinc/06/56/03/1205065603.db2.gz VUXBLTPHOZTTJQ-SFFCAUCYSA-N 2 0 345.462 2.025 10 30 EEEERP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001274855103 1205188280 /nfs/dbraw/zinc/18/82/80/1205188280.db2.gz CGZHODSDKKQHAO-PXNSSMCTSA-N 2 0 339.483 2.067 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001275150032 1205268080 /nfs/dbraw/zinc/26/80/80/1205268080.db2.gz USHPWKRSIKZCTB-HKUYNNGSSA-N 2 0 327.472 2.005 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001490302430 1291137409 /nfs/dbraw/zinc/13/74/09/1291137409.db2.gz ICHYTPVWJLGKCC-CABCVRRESA-N 2 0 325.884 2.194 10 30 EEEERP C=CC[C@]1(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CCC[NH2+]1 ZINC000852872183 1292223066 /nfs/dbraw/zinc/22/30/66/1292223066.db2.gz JDJBMVYZGCFPFW-HXUWFJFHSA-N 2 0 342.487 2.465 10 30 EEEERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccccc1C#N ZINC001491545237 1301157360 /nfs/dbraw/zinc/15/73/60/1301157360.db2.gz AVBSDKMSOPJARI-HNNXBMFYSA-N 2 0 328.460 2.027 10 30 EEEERP C[C@H]1[C@H]([NH2+]CC#Cc2ccc(F)cc2)CCN1C(=O)CCC[NH+](C)C ZINC001278294031 1309084860 /nfs/dbraw/zinc/08/48/60/1309084860.db2.gz QQGVVBIVJXSQDU-QFBILLFUSA-N 2 0 345.462 2.098 10 30 EEEERP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001278747303 1317957739 /nfs/dbraw/zinc/95/77/39/1317957739.db2.gz KJVGHBSVLXVKOV-MRXNPFEDSA-N 2 0 343.462 2.368 10 30 EEEERP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001265061373 1322900252 /nfs/dbraw/zinc/90/02/52/1322900252.db2.gz OJSCTJCYXXHRAS-GOSISDBHSA-N 2 0 348.466 2.222 10 30 EEEERP CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001265378278 1323108158 /nfs/dbraw/zinc/10/81/58/1323108158.db2.gz JCFKZFRCMKYJHP-UXHICEINSA-N 2 0 341.499 2.109 10 30 EEEERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001265786012 1323380514 /nfs/dbraw/zinc/38/05/14/1323380514.db2.gz KKBOQEWZJIYBCV-APWZRJJASA-N 2 0 345.462 2.146 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001265941562 1323505080 /nfs/dbraw/zinc/50/50/80/1323505080.db2.gz CFNXMFPCYVCRMA-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP C[N@@H+](CC#Cc1ccccc1)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001265978191 1323538790 /nfs/dbraw/zinc/53/87/90/1323538790.db2.gz DWNGJOGVFKTWIR-UHFFFAOYSA-N 2 0 341.499 2.352 10 30 EEEERP C[C@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC#Cc1ccccc1 ZINC001266184771 1323750764 /nfs/dbraw/zinc/75/07/64/1323750764.db2.gz QHYNIMJAZZTFOY-NQIIRXRSSA-N 2 0 339.483 2.008 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001282494895 1325732241 /nfs/dbraw/zinc/73/22/41/1325732241.db2.gz COBFQAZGVBJJOM-INIZCTEOSA-N 2 0 333.520 2.204 10 30 EEEERP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001282944350 1325846094 /nfs/dbraw/zinc/84/60/94/1325846094.db2.gz AJTCETMXUBJWKG-IPMKNSEASA-N 2 0 345.531 2.491 10 30 EEEERP C=C(Br)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283176064 1325944835 /nfs/dbraw/zinc/94/48/35/1325944835.db2.gz GJYWRTVKPDFNKO-BFHYXJOUSA-N 2 0 346.313 2.110 10 30 EEEERP C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001316721209 1331861735 /nfs/dbraw/zinc/86/17/35/1331861735.db2.gz KCPRQMWPZOZWHN-RTBURBONSA-N 2 0 345.462 2.075 10 30 EEEERP C=CCOCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001316933384 1331999422 /nfs/dbraw/zinc/99/94/22/1331999422.db2.gz JNCNZRJQKSKDLM-RBUKOAKNSA-N 2 0 349.519 2.129 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317041581 1332056129 /nfs/dbraw/zinc/05/61/29/1332056129.db2.gz CYQZOVHPYZXOKV-QGZVFWFLSA-N 2 0 338.455 2.450 10 30 EEEERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC001317681001 1332368848 /nfs/dbraw/zinc/36/88/48/1332368848.db2.gz DYKSWCGGBYLVHM-IBGZPJMESA-N 2 0 342.487 2.369 10 30 EEEERP C#CCC[NH2+]CC1(NC(=O)c2ccc(CC[NH+](C)C)cc2)CCCC1 ZINC001318654061 1332573332 /nfs/dbraw/zinc/57/33/32/1332573332.db2.gz KZYNSSVXWCUSIB-UHFFFAOYSA-N 2 0 341.499 2.446 10 30 EEEERP CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001318712179 1332582247 /nfs/dbraw/zinc/58/22/47/1332582247.db2.gz DMUHDQDVNQJKHS-FPOVZHCZSA-N 2 0 341.499 2.253 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001319812307 1332774231 /nfs/dbraw/zinc/77/42/31/1332774231.db2.gz XHMFZMDAFKKMOO-ROUUACIJSA-N 2 0 331.504 2.102 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320465575 1332891029 /nfs/dbraw/zinc/89/10/29/1332891029.db2.gz ZFAZAQAIDWFPRE-XJKSGUPXSA-N 2 0 334.489 2.088 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001322352475 1333252021 /nfs/dbraw/zinc/25/20/21/1333252021.db2.gz ASOYNPVCDRTIKA-PMACEKPBSA-N 2 0 341.499 2.254 10 30 EEEERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]Cc2ccccc2C#N)CC[N@@H+]1C ZINC001322661734 1333302777 /nfs/dbraw/zinc/30/27/77/1333302777.db2.gz JIGNTKTXFOSWHC-IRXDYDNUSA-N 2 0 342.487 2.227 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC)[C@H](CC)C2)CC1 ZINC001323166462 1333401847 /nfs/dbraw/zinc/40/18/47/1333401847.db2.gz CDCDYSXCEDECNE-MJGOQNOKSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH+]1CC=C(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001333433634 1336046713 /nfs/dbraw/zinc/04/67/13/1336046713.db2.gz VXYVZUWKKCTUIA-FQEVSTJZSA-N 2 0 339.483 2.451 10 30 EEEERP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001566689851 1342603490 /nfs/dbraw/zinc/60/34/90/1342603490.db2.gz WBESLNYKRONAST-MSOLQXFVSA-N 2 0 349.519 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)Cc2cccc(F)c2)CC1 ZINC001675051154 1356930229 /nfs/dbraw/zinc/93/02/29/1356930229.db2.gz XFDVDRVKQQEECU-INIZCTEOSA-N 2 0 345.462 2.107 10 30 EEEERP C=CC[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001566877561 1342646254 /nfs/dbraw/zinc/64/62/54/1342646254.db2.gz AGOAGFJVVGNZOW-IBGZPJMESA-N 2 0 329.488 2.175 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001569847359 1342957493 /nfs/dbraw/zinc/95/74/93/1342957493.db2.gz QDTJNKJGZDWYOP-FXAWDEMLSA-N 2 0 341.499 2.112 10 30 EEEERP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001570553209 1343083922 /nfs/dbraw/zinc/08/39/22/1343083922.db2.gz HXCMBJUISLNQRJ-IBGZPJMESA-N 2 0 333.520 2.302 10 30 EEEERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001676973901 1357252679 /nfs/dbraw/zinc/25/26/79/1357252679.db2.gz CHXFTMZPYKYJTR-VQTJNVASSA-N 2 0 339.483 2.008 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661752507 1354690234 /nfs/dbraw/zinc/69/02/34/1354690234.db2.gz KREUQOJJVRXSPJ-RTBURBONSA-N 2 0 333.520 2.348 10 30 EEEERP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001664309169 1355135604 /nfs/dbraw/zinc/13/56/04/1355135604.db2.gz HXCYFYCPZSSBEP-RTBURBONSA-N 2 0 342.487 2.227 10 30 EEEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001664446459 1355166248 /nfs/dbraw/zinc/16/62/48/1355166248.db2.gz BUTAENQHRKSAEQ-HNNXBMFYSA-N 2 0 339.443 2.284 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001669750475 1356203234 /nfs/dbraw/zinc/20/32/34/1356203234.db2.gz LQUZLVDINXZWNC-HOTGVXAUSA-N 2 0 345.462 2.326 10 30 EEEERP C#CCC[NH+]1CCc2c(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001673080008 1356644351 /nfs/dbraw/zinc/64/43/51/1356644351.db2.gz XGWZULDNPMSTAQ-QGZVFWFLSA-N 2 0 339.483 2.026 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001698933403 1405171798 /nfs/dbraw/zinc/17/17/98/1405171798.db2.gz SKJYDVZNCQTLEC-ICSRJNTNSA-N 2 0 341.499 2.011 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001699403195 1405347868 /nfs/dbraw/zinc/34/78/68/1405347868.db2.gz MZVZEMHZBFXFAI-LPHOPBHVSA-N 2 0 345.462 2.144 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001699687634 1405440260 /nfs/dbraw/zinc/44/02/60/1405440260.db2.gz IFPNDNMFUGFARZ-WOJBJXKFSA-N 2 0 343.515 2.340 10 30 EEEERP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800515 779305492 /nfs/dbraw/zinc/30/54/92/779305492.db2.gz BMBSZHZIWDBWOW-MSOLQXFVSA-N 2 0 331.504 2.243 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC=C)CC2(C)C)CC1 ZINC000941238724 780227838 /nfs/dbraw/zinc/22/78/38/780227838.db2.gz CBRYPWZACGNGFK-GOSISDBHSA-N 2 0 331.504 2.124 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001440363266 1093528809 /nfs/dbraw/zinc/52/88/09/1093528809.db2.gz QHCJDMFKJXOLNJ-JCNLHEQBSA-N 2 0 346.450 2.022 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001440654824 1093927800 /nfs/dbraw/zinc/92/78/00/1093927800.db2.gz XZOXMBNGQRHIQX-APWZRJJASA-N 2 0 342.487 2.368 10 30 EEEERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N)[NH+]1CCCC1 ZINC001442057951 1096269661 /nfs/dbraw/zinc/26/96/61/1096269661.db2.gz DCEJRORBTZDSPJ-VQIMIIECSA-N 2 0 342.487 2.273 10 30 EEEERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001444331058 1098895987 /nfs/dbraw/zinc/89/59/87/1098895987.db2.gz XWKYXXHZEHYGKI-KBXCAEBGSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]Cc2ccccc2F)CC1 ZINC001495132951 1100799577 /nfs/dbraw/zinc/79/95/77/1100799577.db2.gz BAUDSOJHHVABKY-SFHVURJKSA-N 2 0 345.462 2.155 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001496645503 1101249506 /nfs/dbraw/zinc/24/95/06/1101249506.db2.gz VPAYYLZPQSEDAN-GOSISDBHSA-N 2 0 346.450 2.024 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001497207005 1102126357 /nfs/dbraw/zinc/12/63/57/1102126357.db2.gz WVDUEABRDQCDPM-AWEZNQCLSA-N 2 0 346.450 2.166 10 30 EEEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001500048202 1112592103 /nfs/dbraw/zinc/59/21/03/1112592103.db2.gz DFBSDUAUCBLXIS-UHFFFAOYSA-N 2 0 345.462 2.204 10 30 EEEERP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001501172030 1113227073 /nfs/dbraw/zinc/22/70/73/1113227073.db2.gz LYBWSBBDTHZWFU-NXOAAHMSSA-N 2 0 339.911 2.440 10 30 EEEERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001505761159 1114175318 /nfs/dbraw/zinc/17/53/18/1114175318.db2.gz QMVFOEIYNXESFJ-IAGOWNOFSA-N 2 0 342.487 2.417 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001506935754 1114986078 /nfs/dbraw/zinc/98/60/78/1114986078.db2.gz DLAVLPBDIFYKGM-INIZCTEOSA-N 2 0 342.487 2.275 10 30 EEEERP C=C(Br)C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001506982024 1115029376 /nfs/dbraw/zinc/02/93/76/1115029376.db2.gz NTTYXGSBRTVUSE-KGLIPLIRSA-N 2 0 346.313 2.110 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001568713987 1124731318 /nfs/dbraw/zinc/73/13/18/1124731318.db2.gz MLUVNMFAQATSOG-UYAOXDASSA-N 2 0 341.499 2.397 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001568800146 1124815261 /nfs/dbraw/zinc/81/52/61/1124815261.db2.gz BGPQSJRRCMTYIL-RLLQIKCJSA-N 2 0 345.531 2.206 10 30 EEEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568919908 1124947090 /nfs/dbraw/zinc/94/70/90/1124947090.db2.gz LAIIQHUJSLLVMA-SQRWCISFSA-N 2 0 331.863 2.213 10 30 EEEERP C=C(Br)C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001568920304 1124949137 /nfs/dbraw/zinc/94/91/37/1124949137.db2.gz SFEHWPDAMHOMJK-VOTSOKGWSA-N 2 0 346.313 2.135 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001569038037 1125058048 /nfs/dbraw/zinc/05/80/48/1125058048.db2.gz FDDXAJIDJARSCH-QUCCMNQESA-N 2 0 341.499 2.253 10 30 EEEERP C[C@H](O)C[C@@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181276 465298731 /nfs/dbraw/zinc/29/87/31/465298731.db2.gz ZDTXFCQTWXLVMX-MUGJNUQGSA-N 2 0 336.520 2.241 10 30 EEEERP C[C@@H](CO)[NH+](CC#CC[N@@H+]([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347179018 466454607 /nfs/dbraw/zinc/45/46/07/466454607.db2.gz ZIMWHXLJCFBHEA-ROUUACIJSA-N 2 0 336.520 2.241 10 30 EEEERP N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCOCC1 ZINC000599335351 469215209 /nfs/dbraw/zinc/21/52/09/469215209.db2.gz SVHYGLGEZKKCOX-YTQUADARSA-N 2 0 347.503 2.006 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000626937846 469762649 /nfs/dbraw/zinc/76/26/49/469762649.db2.gz WJKNSKNYWPJSNE-DLBZAZTESA-N 2 0 334.508 2.269 10 30 EEEERP C=CC[C@@]1(C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662873277 472286441 /nfs/dbraw/zinc/28/64/41/472286441.db2.gz VQPIKXFWSKODRH-FPOVZHCZSA-N 2 0 341.499 2.460 10 30 EEEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001671504083 1176860929 /nfs/dbraw/zinc/86/09/29/1176860929.db2.gz NJCXOBZTKMUNMU-DOTOQJQBSA-N 2 0 325.472 2.001 10 30 EEEERP CC#CC[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001691181099 1177679295 /nfs/dbraw/zinc/67/92/95/1177679295.db2.gz PLOQGSDMBGQCEX-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCCC2CCCC2)CC1 ZINC001267117959 1178282885 /nfs/dbraw/zinc/28/28/85/1178282885.db2.gz YTTCSHJOEPGKOE-UHFFFAOYSA-N 2 0 333.520 2.350 10 30 EEEERP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001267476359 1179113229 /nfs/dbraw/zinc/11/32/29/1179113229.db2.gz ZZGAERNBTUNIFF-RTBURBONSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC(=C)C)c2ccccc2)CC1 ZINC001267526105 1179267718 /nfs/dbraw/zinc/26/77/18/1179267718.db2.gz KYQPDNWLQNDSLN-FQEVSTJZSA-N 2 0 339.483 2.355 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001268183121 1181972252 /nfs/dbraw/zinc/97/22/52/1181972252.db2.gz YOKJUWKLLLMEKR-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001482051598 1183246125 /nfs/dbraw/zinc/24/61/25/1183246125.db2.gz HZYSSVUBFZXDRB-LJQANCHMSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]Cc2ccccc2C)CC1 ZINC001268630125 1183555269 /nfs/dbraw/zinc/55/52/69/1183555269.db2.gz FXEZTDZMYVXNCT-VOTSOKGWSA-N 2 0 339.483 2.102 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001269510930 1184332430 /nfs/dbraw/zinc/33/24/30/1184332430.db2.gz SYYKWDMTQIOORF-IRXDYDNUSA-N 2 0 347.890 2.128 10 30 EEEERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001482298369 1185180467 /nfs/dbraw/zinc/18/04/67/1185180467.db2.gz HBHVBOWAMPNSEW-CRAIPNDOSA-N 2 0 349.906 2.468 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001482370219 1185535997 /nfs/dbraw/zinc/53/59/97/1185535997.db2.gz TUANJMPCBPEDLB-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP C#CCC[N@@H+](C)CCC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001271772096 1186473733 /nfs/dbraw/zinc/47/37/33/1186473733.db2.gz JYWGLNLVWXGUNL-LJQANCHMSA-N 2 0 333.520 2.445 10 30 EEEERP O=C(CCC[NH+]1CCCC1)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001483096846 1188470863 /nfs/dbraw/zinc/47/08/63/1188470863.db2.gz FKRURAFUXNLTQY-PLNGDYQASA-N 2 0 339.483 2.176 10 30 EEEERP C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483136720 1188682428 /nfs/dbraw/zinc/68/24/28/1188682428.db2.gz DFHDXCXELIONIP-PBHICJAKSA-N 2 0 346.450 2.166 10 30 EEEERP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001484556402 1191418150 /nfs/dbraw/zinc/41/81/50/1191418150.db2.gz VHXQMBMLLSHLDZ-HXUWFJFHSA-N 2 0 341.499 2.488 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C[C@H]1C ZINC001484982820 1191601012 /nfs/dbraw/zinc/60/10/12/1191601012.db2.gz NPBCCDWMEVLMOK-QUCCMNQESA-N 2 0 341.499 2.153 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001484987629 1191603656 /nfs/dbraw/zinc/60/36/56/1191603656.db2.gz DJXGHRPBRGOQQB-HUUCEWRRSA-N 2 0 348.516 2.429 10 30 EEEERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001485155646 1191668429 /nfs/dbraw/zinc/66/84/29/1191668429.db2.gz CLRKBDSSFXOYLV-KBPBESRZSA-N 2 0 346.450 2.164 10 30 EEEERP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001485167101 1191677066 /nfs/dbraw/zinc/67/70/66/1191677066.db2.gz UHFYCJISPUDBDR-HOTGVXAUSA-N 2 0 340.471 2.169 10 30 EEEERP C=CCc1cc(C[NH2+]C2(CCOC)CC[NH2+]CC2)cc(OC)c1O ZINC000873224821 1198534771 /nfs/dbraw/zinc/53/47/71/1198534771.db2.gz MYMSRLBCMFIDEQ-UHFFFAOYSA-N 2 0 334.460 2.378 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000876932339 1199822718 /nfs/dbraw/zinc/82/27/18/1199822718.db2.gz KERGAZKACJOBEP-YESZJQIVSA-N 2 0 333.863 2.189 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC/C=C\CC)[C@@H](C)C2)CC1 ZINC001274300077 1204990562 /nfs/dbraw/zinc/99/05/62/1204990562.db2.gz WCKJVIQTCXIDGO-OIIZEAPSSA-N 2 0 331.504 2.124 10 30 EEEERP CN(CCC[NH2+]CC#Cc1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001276167414 1205810458 /nfs/dbraw/zinc/81/04/58/1205810458.db2.gz COLZSPWGUROVAP-UHFFFAOYSA-N 2 0 341.499 2.351 10 30 EEEERP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC#Cc3ccccc3)C2)CC1 ZINC001491065331 1258632979 /nfs/dbraw/zinc/63/29/79/1258632979.db2.gz COIXLOPXKKDHTJ-BGYRXZFFSA-N 2 0 339.483 2.007 10 30 EEEERP C=CC[C@H](CO)C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001201761722 1289747752 /nfs/dbraw/zinc/74/77/52/1289747752.db2.gz UFDRSQFTYUROJJ-LBPRGKRZSA-N 2 0 342.386 2.344 10 30 EEEERP C=CC[C@@]1(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CCC[NH2+]1 ZINC000852872181 1292223180 /nfs/dbraw/zinc/22/31/80/1292223180.db2.gz JDJBMVYZGCFPFW-FQEVSTJZSA-N 2 0 342.487 2.465 10 30 EEEERP C=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)CC2 ZINC001276921838 1300273667 /nfs/dbraw/zinc/27/36/67/1300273667.db2.gz PFBIDKMYLKZBOQ-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001263186431 1322441846 /nfs/dbraw/zinc/44/18/46/1322441846.db2.gz BVCMHRDMDVZPTJ-SJORKVTESA-N 2 0 343.471 2.432 10 30 EEEERP CC[N@@H+](CC#Cc1cccc(Cl)c1)CCCNC(=O)CC[NH+](C)C ZINC001265130886 1322937515 /nfs/dbraw/zinc/93/75/15/1322937515.db2.gz GISDHUGKJZFMMO-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001266088412 1323646921 /nfs/dbraw/zinc/64/69/21/1323646921.db2.gz WTOMRKWZXYVMMF-UHFFFAOYSA-N 2 0 341.499 2.189 10 30 EEEERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282191166 1325646560 /nfs/dbraw/zinc/64/65/60/1325646560.db2.gz GNUFXLIHRKYLLQ-ROUUACIJSA-N 2 0 343.515 2.499 10 30 EEEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001283542474 1326122463 /nfs/dbraw/zinc/12/24/63/1326122463.db2.gz CYEAPUVEBNPZIT-IBGZPJMESA-N 2 0 327.472 2.212 10 30 EEEERP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001492035287 1330459177 /nfs/dbraw/zinc/45/91/77/1330459177.db2.gz VOPRYJBCERCLAT-MRXNPFEDSA-N 2 0 345.462 2.146 10 30 EEEERP C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001317188182 1332122261 /nfs/dbraw/zinc/12/22/61/1332122261.db2.gz IRPDFHVODLWCBQ-GOSISDBHSA-N 2 0 349.519 2.036 10 30 EEEERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001317652246 1332350213 /nfs/dbraw/zinc/35/02/13/1332350213.db2.gz HUHVNCJYEJFVRF-GOSISDBHSA-N 2 0 349.906 2.326 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001317811909 1332417082 /nfs/dbraw/zinc/41/70/82/1332417082.db2.gz SEGGNMRYPZYOSW-ROUUACIJSA-N 2 0 333.520 2.206 10 30 EEEERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001318570709 1332562264 /nfs/dbraw/zinc/56/22/64/1332562264.db2.gz PUAHOZDHHHCNMF-VQIMIIECSA-N 2 0 345.462 2.003 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001318999156 1332635394 /nfs/dbraw/zinc/63/53/94/1332635394.db2.gz QFYXHYUDDGYLMD-LPHOPBHVSA-N 2 0 327.472 2.146 10 30 EEEERP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001319145299 1332656853 /nfs/dbraw/zinc/65/68/53/1332656853.db2.gz OVFQZQZFRKJOHH-SFHVURJKSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCC(=C)C)CC1 ZINC001320185697 1332845425 /nfs/dbraw/zinc/84/54/25/1332845425.db2.gz RVGAFLOSIAOGLT-RBUKOAKNSA-N 2 0 331.504 2.172 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001322341388 1333250078 /nfs/dbraw/zinc/25/00/78/1333250078.db2.gz XBHBVSLVXFRGAS-ZWKOTPCHSA-N 2 0 331.504 2.150 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001325006068 1333806549 /nfs/dbraw/zinc/80/65/49/1333806549.db2.gz YJPPPUKQSMMNET-KRWDZBQOSA-N 2 0 337.508 2.082 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001326273597 1334057740 /nfs/dbraw/zinc/05/77/40/1334057740.db2.gz VNKQFGORLULEPB-MSOLQXFVSA-N 2 0 331.504 2.102 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001328662776 1334495496 /nfs/dbraw/zinc/49/54/96/1334495496.db2.gz YBBWPPUBHWPRLM-IBGZPJMESA-N 2 0 331.504 2.102 10 30 EEEERP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001330487010 1334855730 /nfs/dbraw/zinc/85/57/30/1334855730.db2.gz UALVNIVCSIRCFW-GOSISDBHSA-N 2 0 331.504 2.219 10 30 EEEERP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@]2(C)C1 ZINC001330527512 1334864533 /nfs/dbraw/zinc/86/45/33/1334864533.db2.gz AEVQWMHKFVGGRF-RYQLBKOJSA-N 2 0 325.472 2.023 10 30 EEEERP C#CC[N@H+](CC[C@H]1CCOC1)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001330719879 1334890960 /nfs/dbraw/zinc/89/09/60/1334890960.db2.gz FXSQKVFLUKBWCQ-MOPGFXCFSA-N 2 0 334.504 2.239 10 30 EEEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001331289960 1334991317 /nfs/dbraw/zinc/99/13/17/1334991317.db2.gz OMOFFJPLVZDUSS-RBUKOAKNSA-N 2 0 331.504 2.243 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C(C)(C)C ZINC001332881153 1335924265 /nfs/dbraw/zinc/92/42/65/1335924265.db2.gz HIDOFOFOHPHPMX-QZTJIDSGSA-N 2 0 329.488 2.433 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CC/C=C\CC)CC2)CC1 ZINC001333456372 1336050578 /nfs/dbraw/zinc/05/05/78/1336050578.db2.gz CFMJXYVVOVTING-WAYWQWQTSA-N 2 0 343.515 2.436 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](C)Cc1ccc(C#N)cc1 ZINC001479815405 1337394685 /nfs/dbraw/zinc/39/46/85/1337394685.db2.gz HXAVPQLIQLPDCW-CALCHBBNSA-N 2 0 342.487 2.369 10 30 EEEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001500352663 1342178173 /nfs/dbraw/zinc/17/81/73/1342178173.db2.gz ZATBZUPQYCQDNI-GOSISDBHSA-N 2 0 333.501 2.275 10 30 EEEERP C#CCC[NH+]1CCC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001566871976 1342643114 /nfs/dbraw/zinc/64/31/14/1342643114.db2.gz OTYGDPQMPRDRDZ-QGZVFWFLSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676017869 1357089208 /nfs/dbraw/zinc/08/92/08/1357089208.db2.gz CXXBFCFAZVQAQH-ZBFHGGJFSA-N 2 0 346.450 2.024 10 30 EEEERP C#CCC[NH+]1CCC(C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001569700139 1342926976 /nfs/dbraw/zinc/92/69/76/1342926976.db2.gz PQOLZQFWEQVQCL-UHFFFAOYSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001570275611 1343049031 /nfs/dbraw/zinc/04/90/31/1343049031.db2.gz YXJCIFFUNPRTED-UYAOXDASSA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001570811735 1343116289 /nfs/dbraw/zinc/11/62/89/1343116289.db2.gz IWALERBLRXWSSW-MRXNPFEDSA-N 2 0 339.443 2.169 10 30 EEEERP C=CCOCC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001571332039 1343186220 /nfs/dbraw/zinc/18/62/20/1343186220.db2.gz QDZAUWZGVCQNDV-RTBURBONSA-N 2 0 349.519 2.129 10 30 EEEERP CC#CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001676821124 1357213980 /nfs/dbraw/zinc/21/39/80/1357213980.db2.gz RFFGSYJKMOTMIX-QUCCMNQESA-N 2 0 331.504 2.389 10 30 EEEERP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001677621443 1357375769 /nfs/dbraw/zinc/37/57/69/1357375769.db2.gz QNCZFDAQEOUUIP-OALUTQOASA-N 2 0 349.519 2.058 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H](C)CC(C)C)C2)CC1 ZINC001691757450 1357523408 /nfs/dbraw/zinc/52/34/08/1357523408.db2.gz IOYSPXCEUPJHHP-GGPKGHCWSA-N 2 0 347.547 2.498 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1OCC ZINC001656497937 1354242764 /nfs/dbraw/zinc/24/27/64/1354242764.db2.gz AILRWHURAOLDQL-RTBURBONSA-N 2 0 345.487 2.001 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)C/C=C/c1ccccc1 ZINC001660174986 1354410311 /nfs/dbraw/zinc/41/03/11/1354410311.db2.gz XVAGGNDDRWTFFZ-BESKYLIDSA-N 2 0 339.483 2.236 10 30 EEEERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]Cc2ccccc2C#N)C1 ZINC001664134336 1355098838 /nfs/dbraw/zinc/09/88/38/1355098838.db2.gz BKXFVBSZTDXCPQ-IBGZPJMESA-N 2 0 342.487 2.228 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001664241856 1355120913 /nfs/dbraw/zinc/12/09/13/1355120913.db2.gz XCDPWRDIGAXHBV-WMLDXEAASA-N 2 0 346.500 2.185 10 30 EEEERP C#CC[NH+]1CCC(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001666371275 1355519956 /nfs/dbraw/zinc/51/99/56/1355519956.db2.gz UKSBLCWBKMITPF-UHFFFAOYSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[N@@H+](C)CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001667426704 1355740428 /nfs/dbraw/zinc/74/04/28/1355740428.db2.gz VSPWEWWCGVCCLY-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP C#CCC[NH+]1CCC(N(CC#C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001671481302 1356347025 /nfs/dbraw/zinc/34/70/25/1356347025.db2.gz FUDUKMGBJALKDB-UHFFFAOYSA-N 2 0 348.450 2.206 10 30 EEEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001671784731 1356413736 /nfs/dbraw/zinc/41/37/36/1356413736.db2.gz KSCGFMBSIKDEIA-RBUKOAKNSA-N 2 0 337.483 2.050 10 30 EEEERP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001671892288 1356432959 /nfs/dbraw/zinc/43/29/59/1356432959.db2.gz MLYPEFBQXPGNRT-HXUWFJFHSA-N 2 0 338.455 2.498 10 30 EEEERP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCCC1 ZINC001675185112 1356943133 /nfs/dbraw/zinc/94/31/33/1356943133.db2.gz IUNZDEAYWVDADV-ZWKOTPCHSA-N 2 0 331.504 2.435 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001691962038 1404969437 /nfs/dbraw/zinc/96/94/37/1404969437.db2.gz WMEIIAFBYOKIMX-RTBURBONSA-N 2 0 345.531 2.445 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001698917535 1405160080 /nfs/dbraw/zinc/16/00/80/1405160080.db2.gz JCRYOTVMTDOAQA-HXUWFJFHSA-N 2 0 341.499 2.155 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCCCC)C2)CC1 ZINC001699015481 1405229584 /nfs/dbraw/zinc/22/95/84/1405229584.db2.gz KFORWYUEXWYONC-UXHICEINSA-N 2 0 345.531 2.445 10 30 EEEERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437382084 1089631755 /nfs/dbraw/zinc/63/17/55/1089631755.db2.gz JWEBYCHCCAWXCO-KDOFPFPSSA-N 2 0 346.450 2.166 10 30 EEEERP C[C@](C[NH2+]Cc1ccc(C#N)cc1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001438429340 1090927651 /nfs/dbraw/zinc/92/76/51/1090927651.db2.gz SCNYNFMRLWDREL-HXUWFJFHSA-N 2 0 340.471 2.029 10 30 EEEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001448561240 1093608358 /nfs/dbraw/zinc/60/83/58/1093608358.db2.gz KVOSJZCNVVKTNF-WBVHZDCISA-N 2 0 327.900 2.345 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001496401935 1100994961 /nfs/dbraw/zinc/99/49/61/1100994961.db2.gz NSPRDHSGMOLHLV-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001495427698 1101145137 /nfs/dbraw/zinc/14/51/37/1101145137.db2.gz DMGKQOHAWIJLEV-LJQANCHMSA-N 2 0 333.520 2.491 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001495429367 1101147232 /nfs/dbraw/zinc/14/72/32/1101147232.db2.gz VBEJTSSLUKTZSM-UHFFFAOYSA-N 2 0 348.516 2.290 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCN(C)Cc1ccccc1C#N ZINC001496842180 1101581964 /nfs/dbraw/zinc/58/19/64/1101581964.db2.gz UZZBVTAHUDXUAP-CALCHBBNSA-N 2 0 342.487 2.321 10 30 EEEERP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001496076795 1102016318 /nfs/dbraw/zinc/01/63/18/1102016318.db2.gz FOOLWIUCTUHYNC-IAOVAPTHSA-N 2 0 337.427 2.022 10 30 EEEERP C#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1CC ZINC001498894401 1108289975 /nfs/dbraw/zinc/28/99/75/1108289975.db2.gz RCEGJEUGZHPEDN-MSOLQXFVSA-N 2 0 333.520 2.348 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCN1CC#Cc1ccccc1 ZINC001498998713 1108435470 /nfs/dbraw/zinc/43/54/70/1108435470.db2.gz QNAMTVCHPXCXMN-WOJBJXKFSA-N 2 0 339.483 2.103 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001502058642 1113572520 /nfs/dbraw/zinc/57/25/20/1113572520.db2.gz VZWQBUSQMVREPY-OALUTQOASA-N 2 0 349.519 2.177 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001505413850 1113947269 /nfs/dbraw/zinc/94/72/69/1113947269.db2.gz ROAZBZGKVWKVGJ-CEXWTWQISA-N 2 0 327.472 2.419 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001507070674 1115092526 /nfs/dbraw/zinc/09/25/26/1115092526.db2.gz GXQRGNZJCPBJEE-KBPBESRZSA-N 2 0 346.313 2.204 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568643138 1124655227 /nfs/dbraw/zinc/65/52/27/1124655227.db2.gz XLYCPOQDKMJCEW-APWZRJJASA-N 2 0 342.487 2.417 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)CC1 ZINC000246199083 464557877 /nfs/dbraw/zinc/55/78/77/464557877.db2.gz MWVJKBCSQYGNOA-ROUUACIJSA-N 2 0 334.508 2.295 10 30 EEEERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439876 468587564 /nfs/dbraw/zinc/58/75/64/468587564.db2.gz VQHQEJHRZDWSKP-QZTJIDSGSA-N 2 0 328.460 2.131 10 30 EEEERP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594935304 468725936 /nfs/dbraw/zinc/72/59/36/468725936.db2.gz FSWFQICCYPAKGG-UHFFFAOYSA-N 2 0 326.488 2.357 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)C(C)C ZINC000662682781 472204213 /nfs/dbraw/zinc/20/42/13/472204213.db2.gz VALDIITUJDOHLH-AWEZNQCLSA-N 2 0 334.464 2.297 10 30 EEEERP C=CC[C@@]1(C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)CCC[NH2+]1 ZINC000662726457 472223850 /nfs/dbraw/zinc/22/38/50/472223850.db2.gz PZUVEXSUVTTXSO-FQEVSTJZSA-N 2 0 349.519 2.225 10 30 EEEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001272701586 1191961519 /nfs/dbraw/zinc/96/15/19/1191961519.db2.gz XCCJSWMCVHAHJB-FUHWJXTLSA-N 2 0 327.472 2.319 10 30 EEEERP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001266391982 1176465915 /nfs/dbraw/zinc/46/59/15/1176465915.db2.gz BFZITAKABFTCEX-PKOBYXMFSA-N 2 0 333.520 2.443 10 30 EEEERP CN(CC#Cc1cccc(Cl)c1)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001480873612 1176528655 /nfs/dbraw/zinc/52/86/55/1176528655.db2.gz IBXWFTMDUYPUTD-UHFFFAOYSA-N 2 0 347.890 2.224 10 30 EEEERP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001671488027 1176831622 /nfs/dbraw/zinc/83/16/22/1176831622.db2.gz YMLLTIBRCXYLFQ-YHYXMXQVSA-N 2 0 337.895 2.007 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC/C=C/CCC)C2)CC1 ZINC001266567944 1176861239 /nfs/dbraw/zinc/86/12/39/1176861239.db2.gz YWMMIVUUFSDBGF-GHOSXJJBSA-N 2 0 331.504 2.269 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CCC(=C)C)C2)CC1 ZINC001266822574 1177492437 /nfs/dbraw/zinc/49/24/37/1177492437.db2.gz AZCZGWSRNZUXAL-SFHVURJKSA-N 2 0 331.504 2.126 10 30 EEEERP Cc1c(C(=O)N(C)CC[NH2+]Cc2cccc(C#N)c2)ccc2c[nH+]cn21 ZINC001691373987 1177979313 /nfs/dbraw/zinc/97/93/13/1177979313.db2.gz LQODKKRMFDIFKA-UHFFFAOYSA-N 2 0 347.422 2.376 10 30 EEEERP C=CCCC[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267298815 1178709062 /nfs/dbraw/zinc/70/90/62/1178709062.db2.gz SNMCAHWALYRDTD-MRXNPFEDSA-N 2 0 339.443 2.285 10 30 EEEERP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001267925784 1180773591 /nfs/dbraw/zinc/77/35/91/1180773591.db2.gz NECJWCPIBYCIKC-MKXGPGLRSA-N 2 0 349.519 2.223 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001481365953 1181134267 /nfs/dbraw/zinc/13/42/67/1181134267.db2.gz UUDJXDHONXATTE-RBUKOAKNSA-N 2 0 327.472 2.331 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H](C)[NH2+]CCC=C)C2)CC1 ZINC001268178313 1181960540 /nfs/dbraw/zinc/96/05/40/1181960540.db2.gz DUOXLZYQPDRGQI-HKUYNNGSSA-N 2 0 331.504 2.124 10 30 EEEERP CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC001268224668 1182035853 /nfs/dbraw/zinc/03/58/53/1182035853.db2.gz VJMYYFCGZBYVRE-VQTJNVASSA-N 2 0 343.515 2.355 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001268397261 1182474318 /nfs/dbraw/zinc/47/43/18/1182474318.db2.gz OPEKPXWCKANDPA-CQSZACIVSA-N 2 0 346.450 2.024 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC001481817089 1182734527 /nfs/dbraw/zinc/73/45/27/1182734527.db2.gz SMIQXCZGIVTQRQ-OALUTQOASA-N 2 0 342.487 2.417 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CCC2CCCC2)CC1 ZINC001268500580 1183045567 /nfs/dbraw/zinc/04/55/67/1183045567.db2.gz XJEKJWQAPLTWLY-UHFFFAOYSA-N 2 0 333.520 2.350 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001482173162 1183499787 /nfs/dbraw/zinc/49/97/87/1183499787.db2.gz GXIXHLMNJSZFAJ-INIZCTEOSA-N 2 0 349.906 2.374 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001269422493 1184254411 /nfs/dbraw/zinc/25/44/11/1184254411.db2.gz DFZOFCCXJXILCU-IBGZPJMESA-N 2 0 339.483 2.151 10 30 EEEERP C[NH+](C)CCC(=O)NCc1ccc(C[NH2+]CC#Cc2ccccc2)cc1 ZINC001270077028 1184829236 /nfs/dbraw/zinc/82/92/36/1184829236.db2.gz YAHUSOANXVSQJB-UHFFFAOYSA-N 2 0 349.478 2.396 10 30 EEEERP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001271438172 1186224356 /nfs/dbraw/zinc/22/43/56/1186224356.db2.gz LPNXJZJAROYQQC-LJQANCHMSA-N 2 0 333.520 2.302 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001271698230 1186379069 /nfs/dbraw/zinc/37/90/69/1186379069.db2.gz AWHBQNSDXSVGMI-APWZRJJASA-N 2 0 333.520 2.369 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC2CC(C)C2)C(C)C)CC1 ZINC001271939130 1186651550 /nfs/dbraw/zinc/65/15/50/1186651550.db2.gz DRTWYYJKCFZVCL-FAFZWHIHSA-N 2 0 333.520 2.108 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001482686070 1187654579 /nfs/dbraw/zinc/65/45/79/1187654579.db2.gz ZANAKSSYMZXAKB-HOTGVXAUSA-N 2 0 339.911 2.489 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001485883118 1193628780 /nfs/dbraw/zinc/62/87/80/1193628780.db2.gz ONAZYPWEWWKZGE-KGLIPLIRSA-N 2 0 346.313 2.206 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001484397234 1191330569 /nfs/dbraw/zinc/33/05/69/1191330569.db2.gz CHJZYGZOKGTTQS-WAAHFUDESA-N 2 0 333.520 2.395 10 30 EEEERP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)C[NH+]2CCCC2)CC1 ZINC001484400736 1191334938 /nfs/dbraw/zinc/33/49/38/1191334938.db2.gz BMNWMIGDFVNKNM-UHFFFAOYSA-N 2 0 342.487 2.156 10 30 EEEERP C#CCC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CCC1 ZINC001484658501 1191460412 /nfs/dbraw/zinc/46/04/12/1191460412.db2.gz FDMIJNBMVGDJOE-SFHVURJKSA-N 2 0 327.472 2.331 10 30 EEEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485251774 1191704148 /nfs/dbraw/zinc/70/41/48/1191704148.db2.gz MTEFSJWAHVWQFJ-HNNXBMFYSA-N 2 0 327.900 2.155 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001486254562 1193781822 /nfs/dbraw/zinc/78/18/22/1193781822.db2.gz VFDDHDNRZUIAEC-HUUCEWRRSA-N 2 0 347.425 2.131 10 30 EEEERP CC1([NH2+]CC#Cc2ccccc2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001274398592 1205021150 /nfs/dbraw/zinc/02/11/50/1205021150.db2.gz RVFUUWQSLGKJRV-UHFFFAOYSA-N 2 0 339.483 2.105 10 30 EEEERP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001274412908 1205025435 /nfs/dbraw/zinc/02/54/35/1205025435.db2.gz JGCUDHAGFGDDEL-NSCUHMNNSA-N 2 0 346.500 2.114 10 30 EEEERP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001275159422 1205269759 /nfs/dbraw/zinc/26/97/59/1205269759.db2.gz CEBWMOWVRXQIJS-OALUTQOASA-N 2 0 327.472 2.235 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]CCC2CC2)CC1 ZINC001275751484 1205511970 /nfs/dbraw/zinc/51/19/70/1205511970.db2.gz ZHROGUDOOQXDMS-UHFFFAOYSA-N 2 0 333.520 2.206 10 30 EEEERP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)[C@H]1c1cccs1 ZINC000246695482 1213005256 /nfs/dbraw/zinc/00/52/56/1213005256.db2.gz ZAXDCZXMMUHXJA-YCPHGPKFSA-N 2 0 336.505 2.214 10 30 EEEERP Cc1cccc(NC(=[NH2+])NCc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000303891341 1213920881 /nfs/dbraw/zinc/92/08/81/1213920881.db2.gz NAUGRVFCJBGRED-UHFFFAOYSA-N 2 0 338.459 2.069 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000900893821 1234967681 /nfs/dbraw/zinc/96/76/81/1234967681.db2.gz DIOZDNIRDJVRNV-LJQANCHMSA-N 2 0 329.488 2.475 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000901258873 1235451125 /nfs/dbraw/zinc/45/11/25/1235451125.db2.gz SECISCSWWXDWCR-UHFFFAOYSA-N 2 0 331.460 2.090 10 30 EEEERP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001273607330 1281076749 /nfs/dbraw/zinc/07/67/49/1281076749.db2.gz LWIQGQYXEMSHMD-OALUTQOASA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489347609 1290531182 /nfs/dbraw/zinc/53/11/82/1290531182.db2.gz BNSAVPUNOCPDHC-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCC[C@@H](O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856590548 1293573876 /nfs/dbraw/zinc/57/38/76/1293573876.db2.gz WHSBTSLNYKSLJX-MJGOQNOKSA-N 2 0 333.476 2.314 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)C(C)C ZINC001211223144 1295762929 /nfs/dbraw/zinc/76/29/29/1295762929.db2.gz RDQSWIOCVJEODO-KURKYZTESA-N 2 0 334.508 2.031 10 30 EEEERP C=CCOCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001276388532 1297159155 /nfs/dbraw/zinc/15/91/55/1297159155.db2.gz ISANWCWYPUNTQU-QFBILLFUSA-N 2 0 349.519 2.033 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001491171156 1299651162 /nfs/dbraw/zinc/65/11/62/1299651162.db2.gz YZHACBGYHLVONH-PKOBYXMFSA-N 2 0 331.504 2.245 10 30 EEEERP C[C@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277147753 1301511793 /nfs/dbraw/zinc/51/17/93/1301511793.db2.gz GZBZQSVWIAWXRI-VQIMIIECSA-N 2 0 345.462 2.146 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001277393199 1302815874 /nfs/dbraw/zinc/81/58/74/1302815874.db2.gz GIXXUKHTFWNWDV-LJQANCHMSA-N 2 0 345.531 2.445 10 30 EEEERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001491558131 1303520294 /nfs/dbraw/zinc/52/02/94/1303520294.db2.gz IWCTVVKLLARZRY-CABCVRRESA-N 2 0 348.516 2.336 10 30 EEEERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC#Cc1ccccc1)C1CCC1 ZINC001277866685 1304975346 /nfs/dbraw/zinc/97/53/46/1304975346.db2.gz XMPIGCDLTIGLKK-FQEVSTJZSA-N 2 0 339.483 2.103 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CC=C(C)C)C2)CC1 ZINC001279044627 1319075290 /nfs/dbraw/zinc/07/52/90/1319075290.db2.gz HNXLNGURDUNXGZ-PKOBYXMFSA-N 2 0 331.504 2.124 10 30 EEEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001265407135 1323135412 /nfs/dbraw/zinc/13/54/12/1323135412.db2.gz RDEIBAFQOZYJRT-KANFNMMFSA-N 2 0 331.504 2.358 10 30 EEEERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC#Cc1ccccc1 ZINC001265790214 1323382272 /nfs/dbraw/zinc/38/22/72/1323382272.db2.gz INNQNMFPPQFQFK-SFHVURJKSA-N 2 0 339.483 2.008 10 30 EEEERP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCC1)C2 ZINC001279237309 1323856276 /nfs/dbraw/zinc/85/62/76/1323856276.db2.gz UCLDSNMJMMIVOP-REPLKXPHSA-N 2 0 331.504 2.245 10 30 EEEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c(F)c1 ZINC001279709916 1323982996 /nfs/dbraw/zinc/98/29/96/1323982996.db2.gz JMQTWVZWXMNPEQ-GOSISDBHSA-N 2 0 345.462 2.449 10 30 EEEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001280357404 1324170826 /nfs/dbraw/zinc/17/08/26/1324170826.db2.gz YUCREZSKSXHSID-KRWDZBQOSA-N 2 0 327.472 2.463 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CCC3CC3)CC2)CC1 ZINC001281531009 1325233070 /nfs/dbraw/zinc/23/30/70/1325233070.db2.gz SJIONLUJKQQTOH-UHFFFAOYSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[N@H+](C)CCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001210837613 1325457349 /nfs/dbraw/zinc/45/73/49/1325457349.db2.gz SOXABKMBMAWCRA-UHFFFAOYSA-N 2 0 348.535 2.430 10 30 EEEERP C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)CN1C(=O)CCC[NH+](C)C ZINC001284005011 1326359156 /nfs/dbraw/zinc/35/91/56/1326359156.db2.gz VBRPWGMZDNOXJG-VQIMIIECSA-N 2 0 345.462 2.098 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCCc2ccccc2)CC1 ZINC001317472175 1331545052 /nfs/dbraw/zinc/54/50/52/1331545052.db2.gz WMPMBROJAGNERR-UHFFFAOYSA-N 2 0 341.499 2.012 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001317189241 1332122562 /nfs/dbraw/zinc/12/25/62/1332122562.db2.gz UAADDKOPLYLHIG-QGZVFWFLSA-N 2 0 339.443 2.428 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]CCC(C)C)CC2)CC1 ZINC001317221499 1332142417 /nfs/dbraw/zinc/14/24/17/1332142417.db2.gz MXKPFZNXRGOPQK-UHFFFAOYSA-N 2 0 333.520 2.395 10 30 EEEERP C[C@H](CNC(=O)CCCC[NH+](C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001317284847 1332164375 /nfs/dbraw/zinc/16/43/75/1332164375.db2.gz YJQZNMQPTLGOOO-MRXNPFEDSA-N 2 0 333.451 2.003 10 30 EEEERP CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001317810141 1332416455 /nfs/dbraw/zinc/41/64/55/1332416455.db2.gz YKBZICGTCPZMHV-PMACEKPBSA-N 2 0 341.499 2.207 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)N(C)C(=O)CC[NH+](C)C ZINC001319525378 1332715843 /nfs/dbraw/zinc/71/58/43/1332715843.db2.gz NTPVEWPYIXRLTE-HNNXBMFYSA-N 2 0 335.879 2.080 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001320110085 1332829102 /nfs/dbraw/zinc/82/91/02/1332829102.db2.gz FEPSAJJMYXZCQC-JKSUJKDBSA-N 2 0 327.900 2.394 10 30 EEEERP C=CCOCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001325897962 1333987998 /nfs/dbraw/zinc/98/79/98/1333987998.db2.gz HKCIBVBAYHDHBE-IPMKNSEASA-N 2 0 349.519 2.129 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001326365124 1334077007 /nfs/dbraw/zinc/07/70/07/1334077007.db2.gz NMIKGNDGZXUWGR-HXUWFJFHSA-N 2 0 341.499 2.012 10 30 EEEERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001329197542 1334604273 /nfs/dbraw/zinc/60/42/73/1334604273.db2.gz VQPSNDHZVLBIET-JKSUJKDBSA-N 2 0 347.890 2.270 10 30 EEEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C(F)(F)F ZINC001333021379 1335949263 /nfs/dbraw/zinc/94/92/63/1335949263.db2.gz OMDXSOJCHQDBAN-KGLIPLIRSA-N 2 0 347.425 2.273 10 30 EEEERP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001339094886 1336958471 /nfs/dbraw/zinc/95/84/71/1336958471.db2.gz KSAIUEHEFHNJSJ-QGZVFWFLSA-N 2 0 346.523 2.050 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)CC(C)C)CC1 ZINC001667118399 1355651727 /nfs/dbraw/zinc/65/17/27/1355651727.db2.gz RAGMPCHQXHUEPK-ZGRWHYIRSA-N 2 0 339.911 2.205 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001501424800 1342189488 /nfs/dbraw/zinc/18/94/88/1342189488.db2.gz JJQIALKWOOOMNH-OKZBNKHCSA-N 2 0 331.504 2.360 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001566939537 1342655589 /nfs/dbraw/zinc/65/55/89/1342655589.db2.gz FIQQYONEWNJHHQ-RBUKOAKNSA-N 2 0 331.504 2.387 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567177199 1342705640 /nfs/dbraw/zinc/70/56/40/1342705640.db2.gz SNKSHHNDLQRIJI-RTBURBONSA-N 2 0 331.504 2.149 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001570220922 1343035475 /nfs/dbraw/zinc/03/54/75/1343035475.db2.gz YGUSOVXVMRKPTE-MOPGFXCFSA-N 2 0 345.531 2.302 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001570553108 1343084401 /nfs/dbraw/zinc/08/44/01/1343084401.db2.gz DIFMWMOKZFQHFG-IBGZPJMESA-N 2 0 345.531 2.302 10 30 EEEERP CCC[N@H+](C)CC(=O)N(C)[C@H](C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001676267975 1357128267 /nfs/dbraw/zinc/12/82/67/1357128267.db2.gz KJNZJXNNOQNBMS-HXUWFJFHSA-N 2 0 341.499 2.207 10 30 EEEERP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001677376626 1357324445 /nfs/dbraw/zinc/32/44/45/1357324445.db2.gz XRXMUDOTPWZIIA-ZIAGYGMSSA-N 2 0 335.414 2.273 10 30 EEEERP C#CCN1CCC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC001638398581 1352688248 /nfs/dbraw/zinc/68/82/48/1352688248.db2.gz XMSAQFZFNYMJDP-GOSISDBHSA-N 2 0 348.535 2.428 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001671251903 1354003184 /nfs/dbraw/zinc/00/31/84/1354003184.db2.gz PODXMWGVGMTOHY-LPHOPBHVSA-N 2 0 331.504 2.101 10 30 EEEERP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001660798212 1354540543 /nfs/dbraw/zinc/54/05/43/1354540543.db2.gz PCBRGBMKZBFKQP-LJQANCHMSA-N 2 0 333.520 2.443 10 30 EEEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001661220581 1354611421 /nfs/dbraw/zinc/61/14/21/1354611421.db2.gz GNCJIUKVDQQNKH-GOSISDBHSA-N 2 0 341.499 2.208 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]CCC(=C)C)CC2)CC1 ZINC001662142791 1354754611 /nfs/dbraw/zinc/75/46/11/1354754611.db2.gz YTWPROXGYVMVCD-UHFFFAOYSA-N 2 0 331.504 2.315 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001662780333 1354845041 /nfs/dbraw/zinc/84/50/41/1354845041.db2.gz XWHIUJMABIIXBH-UXHICEINSA-N 2 0 341.499 2.445 10 30 EEEERP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001663103644 1354914581 /nfs/dbraw/zinc/91/45/81/1354914581.db2.gz CZECTYQIWXJPDS-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](C)CCC=C)CC2)CC1 ZINC001664898255 1355254227 /nfs/dbraw/zinc/25/42/27/1355254227.db2.gz FSXZPMCXRPLXSJ-UHFFFAOYSA-N 2 0 331.504 2.078 10 30 EEEERP CC[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001665834258 1355397938 /nfs/dbraw/zinc/39/79/38/1355397938.db2.gz OPXRZBRAQDNCGG-GOSISDBHSA-N 2 0 333.451 2.003 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001666151847 1355468076 /nfs/dbraw/zinc/46/80/76/1355468076.db2.gz KGYMGVPQGHEXIK-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001668214014 1355900560 /nfs/dbraw/zinc/90/05/60/1355900560.db2.gz HMHXOLVVWGKALA-BBRMVZONSA-N 2 0 333.879 2.436 10 30 EEEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001669846064 1356223997 /nfs/dbraw/zinc/22/39/97/1356223997.db2.gz QQAGRWWRAYTHIY-OAHLLOKOSA-N 2 0 327.432 2.284 10 30 EEEERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001670236975 1356301215 /nfs/dbraw/zinc/30/12/15/1356301215.db2.gz INXFEIHYJAJHHI-GOSISDBHSA-N 2 0 330.476 2.083 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CC2CC2)CC1 ZINC001671481469 1356347518 /nfs/dbraw/zinc/34/75/18/1356347518.db2.gz LGDDOLVZTGGHNK-UYAOXDASSA-N 2 0 343.515 2.340 10 30 EEEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001673617370 1356718017 /nfs/dbraw/zinc/71/80/17/1356718017.db2.gz DSQQAMJTBDXJBX-MSOLQXFVSA-N 2 0 331.504 2.387 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)C(C)C ZINC001675585323 1357008663 /nfs/dbraw/zinc/00/86/63/1357008663.db2.gz VNIAEWSWFIXODV-HBFSDRIKSA-N 2 0 348.535 2.278 10 30 EEEERP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)CC1 ZINC001699694333 1405449263 /nfs/dbraw/zinc/44/92/63/1405449263.db2.gz HWVBILQJKZQDGH-KRWDZBQOSA-N 2 0 337.483 2.004 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001699763111 1405472904 /nfs/dbraw/zinc/47/29/04/1405472904.db2.gz KMFHEUDCEANCSO-IBGZPJMESA-N 2 0 345.462 2.100 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccccc2)CC1 ZINC000940158269 778191955 /nfs/dbraw/zinc/19/19/55/778191955.db2.gz XSXGMULRLZRARA-IBGZPJMESA-N 2 0 339.483 2.255 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857938 779445654 /nfs/dbraw/zinc/44/56/54/779445654.db2.gz HGNCYDLFPNYMKF-ZWKOTPCHSA-N 2 0 333.520 2.347 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075406 779795015 /nfs/dbraw/zinc/79/50/15/779795015.db2.gz KMYWNOHNQYZARX-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001437305585 1089460162 /nfs/dbraw/zinc/46/01/62/1089460162.db2.gz BMQOVNQCWZHGHM-HOTGVXAUSA-N 2 0 327.900 2.442 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442206132 1096491664 /nfs/dbraw/zinc/49/16/64/1096491664.db2.gz PFGORKNPOPOLNK-RTBURBONSA-N 2 0 342.487 2.415 10 30 EEEERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001442321367 1096640077 /nfs/dbraw/zinc/64/00/77/1096640077.db2.gz OBPSCHJZRAZFMQ-ZBFHGGJFSA-N 2 0 346.450 2.024 10 30 EEEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001496610005 1101213232 /nfs/dbraw/zinc/21/32/32/1101213232.db2.gz ASNGLQITCJDDLE-CEXWTWQISA-N 2 0 329.488 2.248 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(F)cc1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001496136026 1102119950 /nfs/dbraw/zinc/11/99/50/1102119950.db2.gz CKOHWOSVVNVRJH-APWZRJJASA-N 2 0 345.462 2.098 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC2CC(C)(C)C2)CC1 ZINC001497330288 1102335260 /nfs/dbraw/zinc/33/52/60/1102335260.db2.gz GHBABGRVFFUOEM-INIZCTEOSA-N 2 0 333.520 2.252 10 30 EEEERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001448041518 1103872664 /nfs/dbraw/zinc/87/26/64/1103872664.db2.gz KWPLTLYXGJYRKR-AWEZNQCLSA-N 2 0 346.450 2.118 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001498048402 1106835897 /nfs/dbraw/zinc/83/58/97/1106835897.db2.gz GBHPMOKOQPYAGA-KBXCAEBGSA-N 2 0 346.450 2.166 10 30 EEEERP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001499929716 1112544976 /nfs/dbraw/zinc/54/49/76/1112544976.db2.gz KPTMHHJWPMCNDY-ZWKOTPCHSA-N 2 0 337.508 2.033 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001501617962 1113401493 /nfs/dbraw/zinc/40/14/93/1113401493.db2.gz HCITWGBEKDEJCD-LJQANCHMSA-N 2 0 341.499 2.256 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001501651280 1113416071 /nfs/dbraw/zinc/41/60/71/1113416071.db2.gz NDRASQMKLDFLOG-RBUKOAKNSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]2C1 ZINC001506854445 1114918545 /nfs/dbraw/zinc/91/85/45/1114918545.db2.gz LPWZGIINBPGFOA-FHWLQOOXSA-N 2 0 345.531 2.348 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001506935755 1114986448 /nfs/dbraw/zinc/98/64/48/1114986448.db2.gz DLAVLPBDIFYKGM-MRXNPFEDSA-N 2 0 342.487 2.275 10 30 EEEERP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001507113791 1115115072 /nfs/dbraw/zinc/11/50/72/1115115072.db2.gz DFXQZLOVCXHKCV-INIZCTEOSA-N 2 0 349.906 2.470 10 30 EEEERP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001507328931 1115195097 /nfs/dbraw/zinc/19/50/97/1115195097.db2.gz YJSVKKKBALNQLV-MJGOQNOKSA-N 2 0 329.488 2.316 10 30 EEEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001508137465 1115425839 /nfs/dbraw/zinc/42/58/39/1115425839.db2.gz UITPJUBQMRXESF-JTTJXQCZSA-N 2 0 325.472 2.354 10 30 EEEERP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001508221044 1115450546 /nfs/dbraw/zinc/45/05/46/1115450546.db2.gz WQQPCQXWTVSEDU-IBGZPJMESA-N 2 0 340.471 2.147 10 30 EEEERP C=C(C[NH+](C)C)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC001543302665 1124127156 /nfs/dbraw/zinc/12/71/56/1124127156.db2.gz NFZRMUQZBWUODE-GOSISDBHSA-N 2 0 330.476 2.012 10 30 EEEERP C=C(Br)C[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001568970103 1125007852 /nfs/dbraw/zinc/00/78/52/1125007852.db2.gz SLLFVFZTDPZBGX-XTBPLBNGSA-N 2 0 344.297 2.030 10 30 EEEERP CC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000594440268 468589225 /nfs/dbraw/zinc/58/92/25/468589225.db2.gz BFTHMMOPJGLPLX-RTBURBONSA-N 2 0 342.487 2.351 10 30 EEEERP C(#CC[NH2+][C@H]1CCOC12CCCC2)C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934380560 678315045 /nfs/dbraw/zinc/31/50/45/678315045.db2.gz CCVVXUISSOGVDP-HDICACEKSA-N 2 0 332.488 2.372 10 30 EEEERP C#CCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914336002 683505756 /nfs/dbraw/zinc/50/57/56/683505756.db2.gz WVXJHHHRQBZDOJ-KRWDZBQOSA-N 2 0 348.535 2.236 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266470059 1176597669 /nfs/dbraw/zinc/59/76/69/1176597669.db2.gz YPFVCHJXUCKGNC-SFHVURJKSA-N 2 0 327.472 2.165 10 30 EEEERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001481280624 1180775604 /nfs/dbraw/zinc/77/56/04/1180775604.db2.gz UOVIFSOFDIAROO-MRXNPFEDSA-N 2 0 347.890 2.081 10 30 EEEERP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCCn1ccnc1C ZINC001268192429 1181985556 /nfs/dbraw/zinc/98/55/56/1181985556.db2.gz ONMCZSYJIJRBQR-FUHWJXTLSA-N 2 0 330.476 2.212 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001268284065 1182156953 /nfs/dbraw/zinc/15/69/53/1182156953.db2.gz MTQIPIPLCINZOW-ICSRJNTNSA-N 2 0 341.499 2.302 10 30 EEEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001481999136 1183107480 /nfs/dbraw/zinc/10/74/80/1183107480.db2.gz OWQIRRLQRZAZAR-KRWDZBQOSA-N 2 0 339.911 2.299 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC[C@H](C)F)CC1 ZINC001481999837 1183112905 /nfs/dbraw/zinc/11/29/05/1183112905.db2.gz XGQZYDAYCSLMDS-WMZOPIPTSA-N 2 0 337.483 2.050 10 30 EEEERP C#CC[NH2+]CCC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001482001758 1183117435 /nfs/dbraw/zinc/11/74/35/1183117435.db2.gz RNKXCQRBIIMVFF-UHFFFAOYSA-N 2 0 333.520 2.491 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268523457 1183177140 /nfs/dbraw/zinc/17/71/40/1183177140.db2.gz QOOKTZUEBNUPIT-LHRDXKRPSA-N 2 0 345.874 2.048 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001269730380 1184565350 /nfs/dbraw/zinc/56/53/50/1184565350.db2.gz OFAJMSZSWKSRBS-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCC)C[C@@H]2C)CC1 ZINC001671256663 1184932796 /nfs/dbraw/zinc/93/27/96/1184932796.db2.gz IVYHIXQWVNMPGY-PKOBYXMFSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001270338707 1185029717 /nfs/dbraw/zinc/02/97/17/1185029717.db2.gz OBYOMFWRRPUYGG-UHFFFAOYSA-N 2 0 331.504 2.365 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001270663941 1185283681 /nfs/dbraw/zinc/28/36/81/1185283681.db2.gz BMTHGRJVPFXPSL-DLBZAZTESA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH+]1CCC(C)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001270905717 1185716277 /nfs/dbraw/zinc/71/62/77/1185716277.db2.gz BOUBVJMCPSDTRF-UHFFFAOYSA-N 2 0 341.499 2.256 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C)CC1 ZINC001271939063 1186651133 /nfs/dbraw/zinc/65/11/33/1186651133.db2.gz BZDFKULUIJYVNH-SFHVURJKSA-N 2 0 335.536 2.498 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272780574 1193495241 /nfs/dbraw/zinc/49/52/41/1193495241.db2.gz AMSFEZAJXFDRBS-CKEIUWERSA-N 2 0 346.450 2.022 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001482845065 1187763473 /nfs/dbraw/zinc/76/34/73/1187763473.db2.gz NWDZIZCPEVTNKZ-KDOFPFPSSA-N 2 0 348.466 2.268 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccccc21 ZINC001483019445 1188007073 /nfs/dbraw/zinc/00/70/73/1188007073.db2.gz JUOJTQHXOGBCNC-KPDZFXRVSA-N 2 0 337.467 2.034 10 30 EEEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001691621397 1188321156 /nfs/dbraw/zinc/32/11/56/1188321156.db2.gz UBAZXAMFIBKMAR-YESZJQIVSA-N 2 0 330.476 2.205 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001483135663 1188677390 /nfs/dbraw/zinc/67/73/90/1188677390.db2.gz MNDDYDOISGNVSG-OAHLLOKOSA-N 2 0 347.890 2.270 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCCc2ccsc2)CC1 ZINC001483197952 1189083777 /nfs/dbraw/zinc/08/37/77/1189083777.db2.gz JCJJHDMWIRIEPB-MRXNPFEDSA-N 2 0 347.528 2.120 10 30 EEEERP C[C@@H]1C[C@H]([NH2+]CC#Cc2ccccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001486120521 1193687463 /nfs/dbraw/zinc/68/74/63/1193687463.db2.gz CBQIWRXYHWNFHV-WBVHZDCISA-N 2 0 347.890 2.222 10 30 EEEERP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001483848197 1191084438 /nfs/dbraw/zinc/08/44/38/1191084438.db2.gz QSQKJAYBHLEGJW-FQEVSTJZSA-N 2 0 331.504 2.200 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCCF)CC1 ZINC001483983812 1191141787 /nfs/dbraw/zinc/14/17/87/1191141787.db2.gz BTJKHPOPLBLYDH-SFHVURJKSA-N 2 0 337.483 2.145 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001484166484 1191254267 /nfs/dbraw/zinc/25/42/67/1191254267.db2.gz HQPWJOBSARBFCT-HXUWFJFHSA-N 2 0 342.487 2.228 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001484727364 1191487019 /nfs/dbraw/zinc/48/70/19/1191487019.db2.gz BVHLEGMARXZEKY-RTBURBONSA-N 2 0 333.520 2.491 10 30 EEEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001484818950 1191539181 /nfs/dbraw/zinc/53/91/81/1191539181.db2.gz FBYHXXTZIQOHJZ-MSOLQXFVSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001272692469 1191576930 /nfs/dbraw/zinc/57/69/30/1191576930.db2.gz VGJDTTLMUFKSCK-OXQOHEQNSA-N 2 0 339.483 2.319 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001486251791 1193778983 /nfs/dbraw/zinc/77/89/83/1193778983.db2.gz AEGBYRIOCCVUJC-ZIAGYGMSSA-N 2 0 335.414 2.131 10 30 EEEERP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000867979289 1201718924 /nfs/dbraw/zinc/71/89/24/1201718924.db2.gz CIUGUDWIAUNNDJ-WOJBJXKFSA-N 2 0 348.450 2.341 10 30 EEEERP C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000886362561 1202497149 /nfs/dbraw/zinc/49/71/49/1202497149.db2.gz CLVZJCPPJONQAD-NSHGMRRFSA-N 2 0 339.483 2.111 10 30 EEEERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]CC#Cc2ccccc2)CC1 ZINC001276297850 1205873535 /nfs/dbraw/zinc/87/35/35/1205873535.db2.gz NSEDIXVHIMPSPI-UHFFFAOYSA-N 2 0 341.499 2.208 10 30 EEEERP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000930576745 1206568235 /nfs/dbraw/zinc/56/82/35/1206568235.db2.gz MRGOSXVAVIRRIE-FQEVSTJZSA-N 2 0 325.456 2.414 10 30 EEEERP [NH2+]=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NC1CCCCC1 ZINC000303884979 1213919541 /nfs/dbraw/zinc/91/95/41/1213919541.db2.gz JLNIACVZLAYIEK-UHFFFAOYSA-N 2 0 343.519 2.436 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001491473346 1259118765 /nfs/dbraw/zinc/11/87/65/1259118765.db2.gz JGPYNJDGJIELJO-QAPCUYQASA-N 2 0 328.460 2.027 10 30 EEEERP C=CCCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273823980 1286464908 /nfs/dbraw/zinc/46/49/08/1286464908.db2.gz GHEOLNFOGHIXKA-VQTJNVASSA-N 2 0 341.499 2.447 10 30 EEEERP C[NH+](C)CCC[C@@H]1CN(CCCOc2ccc(C#N)cc2)CCO1 ZINC000852760696 1292190105 /nfs/dbraw/zinc/19/01/05/1292190105.db2.gz LUMOCMNUYWVZKJ-LJQANCHMSA-N 2 0 331.460 2.370 10 30 EEEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001278529483 1317156289 /nfs/dbraw/zinc/15/62/89/1317156289.db2.gz QHZOJIQLARFSHM-OAQYLSRUSA-N 2 0 341.499 2.256 10 30 EEEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001278678401 1317674409 /nfs/dbraw/zinc/67/44/09/1317674409.db2.gz QQZWIEIWCMCNSE-NRFANRHFSA-N 2 0 341.499 2.012 10 30 EEEERP C#CC[N@H+](C[C@H]1CCCOC1)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001262019528 1322222843 /nfs/dbraw/zinc/22/28/43/1322222843.db2.gz USUREIFEGNVIOF-RBUKOAKNSA-N 2 0 334.504 2.239 10 30 EEEERP C[NH+](C)CCC(=O)NCCC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001265917366 1323483920 /nfs/dbraw/zinc/48/39/20/1323483920.db2.gz LUWCNHUGHZLLNP-UHFFFAOYSA-N 2 0 335.879 2.081 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001280128644 1324091701 /nfs/dbraw/zinc/09/17/01/1324091701.db2.gz QPZUBQNNDYGGQI-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001282226724 1325656602 /nfs/dbraw/zinc/65/66/02/1325656602.db2.gz DXGDTVPYTOXCQM-JKSUJKDBSA-N 2 0 347.890 2.270 10 30 EEEERP CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001316622377 1325799579 /nfs/dbraw/zinc/79/95/79/1325799579.db2.gz MNPFTEHZYXESHD-BGYRXZFFSA-N 2 0 341.499 2.254 10 30 EEEERP C[C@H](CCC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001283213537 1325957605 /nfs/dbraw/zinc/95/76/05/1325957605.db2.gz DVVGHVKORVWUQE-RDTXWAMCSA-N 2 0 346.450 2.166 10 30 EEEERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@H]1C ZINC001283925105 1326322562 /nfs/dbraw/zinc/32/25/62/1326322562.db2.gz BZWLZIDWVSDLRK-QUCCMNQESA-N 2 0 341.499 2.349 10 30 EEEERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001491578833 1330171766 /nfs/dbraw/zinc/17/17/66/1330171766.db2.gz HLESIZUDFWANJZ-HOTGVXAUSA-N 2 0 347.890 2.128 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317343203 1332187307 /nfs/dbraw/zinc/18/73/07/1332187307.db2.gz KCZXDEZTTLQDEY-MJGOQNOKSA-N 2 0 327.472 2.141 10 30 EEEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001318416379 1332529249 /nfs/dbraw/zinc/52/92/49/1332529249.db2.gz NUFAQTMBZDWFTC-KRWDZBQOSA-N 2 0 339.443 2.380 10 30 EEEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001319111738 1332650816 /nfs/dbraw/zinc/65/08/16/1332650816.db2.gz MLYUVCWBMCBOAK-QAPCUYQASA-N 2 0 325.472 2.356 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001324412448 1333677464 /nfs/dbraw/zinc/67/74/64/1333677464.db2.gz AULZFXIBFNWANG-PKOBYXMFSA-N 2 0 331.504 2.362 10 30 EEEERP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001325053017 1333818996 /nfs/dbraw/zinc/81/89/96/1333818996.db2.gz FTOULZQDXWUFLR-CABCVRRESA-N 2 0 331.451 2.222 10 30 EEEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC001328577571 1334482747 /nfs/dbraw/zinc/48/27/47/1334482747.db2.gz IDNFETIYBXVRDC-KRWDZBQOSA-N 2 0 330.476 2.192 10 30 EEEERP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001328812420 1334528052 /nfs/dbraw/zinc/52/80/52/1334528052.db2.gz NMMIGOIFOUUHKL-LJQANCHMSA-N 2 0 333.520 2.302 10 30 EEEERP C=CC[N@@H+](C)CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001332720550 1335891134 /nfs/dbraw/zinc/89/11/34/1335891134.db2.gz QTCBWXWTUVWFQH-UHFFFAOYSA-N 2 0 327.432 2.236 10 30 EEEERP C=C(C[NH+](C)C)C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001558243282 1342469713 /nfs/dbraw/zinc/46/97/13/1342469713.db2.gz VTSVTFHXNWEZHX-QUCCMNQESA-N 2 0 327.472 2.085 10 30 EEEERP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001570275609 1343049370 /nfs/dbraw/zinc/04/93/70/1343049370.db2.gz YXJCIFFUNPRTED-ICSRJNTNSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001676487463 1357156849 /nfs/dbraw/zinc/15/68/49/1357156849.db2.gz DLJLERXVJJKIEU-QGZVFWFLSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)CC1 ZINC001606970369 1351387474 /nfs/dbraw/zinc/38/74/74/1351387474.db2.gz JYQQNGXYXCTSLN-RTBURBONSA-N 2 0 331.504 2.053 10 30 EEEERP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[C@H]3[NH3+])CC2)c1 ZINC001645909120 1352808672 /nfs/dbraw/zinc/80/86/72/1352808672.db2.gz IVRLGWCUZVJDDF-RBUKOAKNSA-N 2 0 340.471 2.156 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001661235065 1354614581 /nfs/dbraw/zinc/61/45/81/1354614581.db2.gz DBXUFRCFSDFSSP-RBUKOAKNSA-N 2 0 333.520 2.301 10 30 EEEERP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001664309167 1355135675 /nfs/dbraw/zinc/13/56/75/1355135675.db2.gz HXCYFYCPZSSBEP-OALUTQOASA-N 2 0 342.487 2.227 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]Cc2cccc(F)c2)CC1 ZINC001665887963 1355405530 /nfs/dbraw/zinc/40/55/30/1355405530.db2.gz KPMCEDPTNYUXTA-IBGZPJMESA-N 2 0 345.462 2.155 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCOCC1 ZINC001671957833 1356443789 /nfs/dbraw/zinc/44/37/89/1356443789.db2.gz RHIKCXVOHHEATR-IRXDYDNUSA-N 2 0 337.508 2.080 10 30 EEEERP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C2 ZINC001672348099 1356506403 /nfs/dbraw/zinc/50/64/03/1356506403.db2.gz IADPTTGSXWMRAA-BCDXTJNWSA-N 2 0 349.519 2.033 10 30 EEEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001675343065 1356968033 /nfs/dbraw/zinc/96/80/33/1356968033.db2.gz JDFZGKIIGLRZMW-KDOFPFPSSA-N 2 0 325.472 2.212 10 30 EEEERP C#CCN(C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CC[NH+](C)CC1 ZINC000921565635 789751366 /nfs/dbraw/zinc/75/13/66/789751366.db2.gz NNYNINULHMNJBI-SFHVURJKSA-N 2 0 348.535 2.093 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001440796689 1094038119 /nfs/dbraw/zinc/03/81/19/1094038119.db2.gz KZCPZVOOYMYEPA-OLZOCXBDSA-N 2 0 334.489 2.087 10 30 EEEERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001441543156 1095264253 /nfs/dbraw/zinc/26/42/53/1095264253.db2.gz FEYCEKCOHCTVQC-KBXCAEBGSA-N 2 0 346.450 2.118 10 30 EEEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001480289488 1100001333 /nfs/dbraw/zinc/00/13/33/1100001333.db2.gz FVEYICWNGIHAKM-QGZVFWFLSA-N 2 0 329.488 2.419 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001495489696 1101198794 /nfs/dbraw/zinc/19/87/94/1101198794.db2.gz LVTYSDMLLKQXCH-UHFFFAOYSA-N 2 0 325.456 2.044 10 30 EEEERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001447935662 1103638966 /nfs/dbraw/zinc/63/89/66/1103638966.db2.gz SKZZYVDPYUIBOR-IAGOWNOFSA-N 2 0 342.487 2.417 10 30 EEEERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001447935658 1103639520 /nfs/dbraw/zinc/63/95/20/1103639520.db2.gz SKZZYVDPYUIBOR-DLBZAZTESA-N 2 0 342.487 2.417 10 30 EEEERP CN(CC(C)(C)C[NH2+]Cc1cc(F)ccc1C#N)C(=O)CC[NH+](C)C ZINC001447974817 1103716171 /nfs/dbraw/zinc/71/61/71/1103716171.db2.gz YZSDBQMLXODGAT-UHFFFAOYSA-N 2 0 348.466 2.223 10 30 EEEERP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001499066434 1108529009 /nfs/dbraw/zinc/52/90/09/1108529009.db2.gz IDAULUDBRGRFIS-QAPCUYQASA-N 2 0 325.472 2.356 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)CC[NH+]1CCCCC1 ZINC001493806600 1108687696 /nfs/dbraw/zinc/68/76/96/1108687696.db2.gz KVSVRXQDPWZXNN-UHFFFAOYSA-N 2 0 345.462 2.101 10 30 EEEERP C=C(Br)CN1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001500012810 1112579122 /nfs/dbraw/zinc/57/91/22/1112579122.db2.gz KSVXHPYFHHHMGW-UHFFFAOYSA-N 2 0 346.313 2.206 10 30 EEEERP C#CC[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001505783523 1114189840 /nfs/dbraw/zinc/18/98/40/1114189840.db2.gz JLCVQBXPIIBQQN-UHFFFAOYSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001506744320 1114855807 /nfs/dbraw/zinc/85/58/07/1114855807.db2.gz LSDZBSUDZFOKJQ-SFHVURJKSA-N 2 0 333.520 2.491 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001507081245 1115098048 /nfs/dbraw/zinc/09/80/48/1115098048.db2.gz BKLKMPAGNVCERX-QFBILLFUSA-N 2 0 342.487 2.369 10 30 EEEERP CCN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568730701 1124744958 /nfs/dbraw/zinc/74/49/58/1124744958.db2.gz LENFKAOTPCQXHZ-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C(C)C ZINC000417057680 466766536 /nfs/dbraw/zinc/76/65/36/466766536.db2.gz CEEDHWNALAWVTF-CEXWTWQISA-N 2 0 348.535 2.326 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C(C)C ZINC000417069999 466770184 /nfs/dbraw/zinc/77/01/84/466770184.db2.gz UZNSLGDADPXDEG-FGTMMUONSA-N 2 0 334.508 2.078 10 30 EEEERP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000594437797 468586877 /nfs/dbraw/zinc/58/68/77/468586877.db2.gz FNNSGMSLHPXLDZ-NJAFHUGGSA-N 2 0 328.460 2.177 10 30 EEEERP C[NH+](C)C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594438993 468587659 /nfs/dbraw/zinc/58/76/59/468587659.db2.gz XZYSTHVJNNIKOY-HZPDHXFCSA-N 2 0 336.867 2.470 10 30 EEEERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000610989564 469131772 /nfs/dbraw/zinc/13/17/72/469131772.db2.gz OFXNUVOKBBVRNN-HQRMLTQVSA-N 2 0 345.487 2.154 10 30 EEEERP C=CC[C@]1(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000662815504 472264616 /nfs/dbraw/zinc/26/46/16/472264616.db2.gz FKNPPSCJDYTFPF-YQVWRLOYSA-N 2 0 331.435 2.167 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000171721155 526440368 /nfs/dbraw/zinc/44/03/68/526440368.db2.gz VRWOMNXYNNCGGL-LJQANCHMSA-N 2 0 344.503 2.109 10 30 EEEERP C#CCN(C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914357201 683530082 /nfs/dbraw/zinc/53/00/82/683530082.db2.gz CAVOXIZUIGDPPR-KSZLIROESA-N 2 0 348.535 2.092 10 30 EEEERP CCc1nc(CNC(=[NH+]C)N2CC[C@@H]([NH+]3CCCCC3)C2)cs1 ZINC000262792630 688477377 /nfs/dbraw/zinc/47/73/77/688477377.db2.gz OLRHUUHMCAQLGU-OAHLLOKOSA-N 2 0 335.521 2.341 10 30 EEEERP C[C@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485748156 1191930186 /nfs/dbraw/zinc/93/01/86/1191930186.db2.gz KVXYWXDMSCCSGC-GDBMZVCRSA-N 2 0 346.450 2.024 10 30 EEEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001272701589 1191961476 /nfs/dbraw/zinc/96/14/76/1191961476.db2.gz XCCJSWMCVHAHJB-WMZOPIPTSA-N 2 0 327.472 2.319 10 30 EEEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266431157 1176526209 /nfs/dbraw/zinc/52/62/09/1176526209.db2.gz LDXKHCINMNDHJH-CEXWTWQISA-N 2 0 327.472 2.002 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266878796 1177690763 /nfs/dbraw/zinc/69/07/63/1177690763.db2.gz MMDVAXXZNOCYBE-LPHOPBHVSA-N 2 0 337.483 2.193 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2ccnc2)CC[C@H]1C(F)(F)F ZINC001691445874 1178831084 /nfs/dbraw/zinc/83/10/84/1178831084.db2.gz MRIDMVWNSUCFRD-UONOGXRCSA-N 2 0 344.381 2.076 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001268183120 1181971804 /nfs/dbraw/zinc/97/18/04/1181971804.db2.gz YOKJUWKLLLMEKR-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(Cl)cc1 ZINC001268239524 1182064388 /nfs/dbraw/zinc/06/43/88/1182064388.db2.gz SLLAIEVIGREWFT-SFHVURJKSA-N 2 0 347.890 2.328 10 30 EEEERP CC[C@H](C(=O)N(CC)CC[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001268458263 1182733804 /nfs/dbraw/zinc/73/38/04/1182733804.db2.gz JSGNMEZTEDIUHK-GOSISDBHSA-N 2 0 349.906 2.470 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001481882464 1182866994 /nfs/dbraw/zinc/86/69/94/1182866994.db2.gz RMHVPLUYAATRLT-SFHVURJKSA-N 2 0 333.520 2.252 10 30 EEEERP C[NH+](C)CCC(=O)N[C@](C)(C[NH2+]Cc1ccc(C#N)c(F)c1)C1CC1 ZINC001481939851 1182996985 /nfs/dbraw/zinc/99/69/85/1182996985.db2.gz CRGWJESNSSAXRV-LJQANCHMSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001481984461 1183086866 /nfs/dbraw/zinc/08/68/66/1183086866.db2.gz PXHKYUJPOZILRP-FQEVSTJZSA-N 2 0 341.499 2.012 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001482032723 1183174056 /nfs/dbraw/zinc/17/40/56/1183174056.db2.gz IPOMLZCVQSJHCY-IBGZPJMESA-N 2 0 327.472 2.148 10 30 EEEERP C=CCOCC[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001270237891 1184949583 /nfs/dbraw/zinc/94/95/83/1184949583.db2.gz YUHHFQWRPFLVQH-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP CC[C@H](C(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)CC(C)C)[NH+](C)C ZINC001482388586 1185588060 /nfs/dbraw/zinc/58/80/60/1185588060.db2.gz YHDIDRYOKMRTII-WOJBJXKFSA-N 2 0 343.515 2.499 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001482439879 1185725030 /nfs/dbraw/zinc/72/50/30/1185725030.db2.gz WXMTXFIOWYSBRW-QUCCMNQESA-N 2 0 341.499 2.205 10 30 EEEERP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN(C)Cc1ccccc1 ZINC001272054394 1187292174 /nfs/dbraw/zinc/29/21/74/1187292174.db2.gz VJICAJCYEDCKNN-UXHICEINSA-N 2 0 339.483 2.207 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC001649097867 1193513989 /nfs/dbraw/zinc/51/39/89/1193513989.db2.gz HROFEIWOYZQQQB-HUUCEWRRSA-N 2 0 349.862 2.300 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CC2=CCCCC2)CC1 ZINC001482970272 1187910717 /nfs/dbraw/zinc/91/07/17/1187910717.db2.gz RCAGUGRXPXIBED-UHFFFAOYSA-N 2 0 331.504 2.270 10 30 EEEERP C=CCNCc1nc2c(s1)CCN(C(=O)C[C@@H](C)n1ccnc1)C2 ZINC001691804949 1188283865 /nfs/dbraw/zinc/28/38/65/1188283865.db2.gz MABKEKGXOVPRHW-CYBMUJFWSA-N 2 0 345.472 2.151 10 30 EEEERP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]CC#Cc2ccccc2)CC[N@@H+]1C ZINC001483050392 1188293630 /nfs/dbraw/zinc/29/36/30/1188293630.db2.gz HHJNOTVLRFTZGM-AQIYZVDXSA-N 2 0 339.483 2.030 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001483197857 1189083647 /nfs/dbraw/zinc/08/36/47/1189083647.db2.gz SDPBGOIOEMVXCJ-OAHLLOKOSA-N 2 0 335.879 2.126 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCCC)[C@H]2C)CC1 ZINC001486097768 1193680371 /nfs/dbraw/zinc/68/03/71/1193680371.db2.gz YBOGCXCHTQFHKM-MJGOQNOKSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001483817811 1191046459 /nfs/dbraw/zinc/04/64/59/1191046459.db2.gz ZTTKVAOZSPNVHO-PMACEKPBSA-N 2 0 343.515 2.340 10 30 EEEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001483818944 1191047266 /nfs/dbraw/zinc/04/72/66/1191047266.db2.gz XMGWIGMOMKXJPF-HXUWFJFHSA-N 2 0 345.531 2.443 10 30 EEEERP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CCCC=C)CC1 ZINC001483984834 1191142636 /nfs/dbraw/zinc/14/26/36/1191142636.db2.gz AIXZRIFJBQYDEF-UHFFFAOYSA-N 2 0 331.504 2.363 10 30 EEEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001483986267 1191142779 /nfs/dbraw/zinc/14/27/79/1191142779.db2.gz BCNOBOQCVVRJBS-CEXWTWQISA-N 2 0 345.531 2.301 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001484167189 1191254633 /nfs/dbraw/zinc/25/46/33/1191254633.db2.gz PYVWEUPUYNXZOP-FQEVSTJZSA-N 2 0 342.487 2.228 10 30 EEEERP CCCC[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485471449 1191801468 /nfs/dbraw/zinc/80/14/68/1191801468.db2.gz HDAVEEVCUDWKFI-MOPGFXCFSA-N 2 0 342.487 2.275 10 30 EEEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001273000143 1194307663 /nfs/dbraw/zinc/30/76/63/1194307663.db2.gz WSHQFGMWMVYJDF-LJQANCHMSA-N 2 0 329.488 2.318 10 30 EEEERP C[NH+](C)C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)C[C@H]1C[NH+](C)C ZINC000866012699 1198454421 /nfs/dbraw/zinc/45/44/21/1198454421.db2.gz NXTFUAHYLCSZGL-QZTJIDSGSA-N 2 0 341.503 2.008 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876762249 1199761422 /nfs/dbraw/zinc/76/14/22/1199761422.db2.gz CXZFFRWSPSSOOV-SJORKVTESA-N 2 0 335.879 2.437 10 30 EEEERP C[NH+]1CCC(Nc2ccccc2NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852864502 1292218906 /nfs/dbraw/zinc/21/89/06/1292218906.db2.gz XVWJNPAXQHXWNA-UHFFFAOYSA-N 2 0 340.471 2.134 10 30 EEEERP C#CCC[N@@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001277448323 1303105846 /nfs/dbraw/zinc/10/58/46/1303105846.db2.gz ZBRYFKOPQOSJSJ-UHFFFAOYSA-N 2 0 327.472 2.308 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001279012419 1318991427 /nfs/dbraw/zinc/99/14/27/1318991427.db2.gz NBGQMOBTMPGESF-ZWKOTPCHSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H](C)CC(C)C)C2)CC1 ZINC001263880266 1322545703 /nfs/dbraw/zinc/54/57/03/1322545703.db2.gz IOYSPXCEUPJHHP-QWFCFKBJSA-N 2 0 347.547 2.498 10 30 EEEERP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001264677592 1322779366 /nfs/dbraw/zinc/77/93/66/1322779366.db2.gz DLISSGZOPHMIEB-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCCC=C)C2)C1 ZINC001281088088 1322856504 /nfs/dbraw/zinc/85/65/04/1322856504.db2.gz PITUXMCAOSBQLE-PZJWPPBQSA-N 2 0 343.515 2.365 10 30 EEEERP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265396278 1323126857 /nfs/dbraw/zinc/12/68/57/1323126857.db2.gz AEGLTLJRHDTAFW-RBUKOAKNSA-N 2 0 333.520 2.443 10 30 EEEERP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001265827553 1323406120 /nfs/dbraw/zinc/40/61/20/1323406120.db2.gz RCQDDULJJABQBH-UHOSZYNNSA-N 2 0 329.488 2.392 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001265978616 1323538402 /nfs/dbraw/zinc/53/84/02/1323538402.db2.gz SEUDGVXZZIDSSW-UHFFFAOYSA-N 2 0 345.531 2.350 10 30 EEEERP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266241900 1323830542 /nfs/dbraw/zinc/83/05/42/1323830542.db2.gz VVDDNSDPVZIRGL-HZPDHXFCSA-N 2 0 327.900 2.442 10 30 EEEERP C=CCC[C@@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)CCC[NH+]1CCCC1)CO2 ZINC001280979452 1324691723 /nfs/dbraw/zinc/69/17/23/1324691723.db2.gz PEUKLHPGDXZJFS-QZTJIDSGSA-N 2 0 349.519 2.177 10 30 EEEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001281529851 1325232331 /nfs/dbraw/zinc/23/23/31/1325232331.db2.gz BGNVLJGRANOHHV-SFHVURJKSA-N 2 0 333.520 2.491 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001491964875 1330359048 /nfs/dbraw/zinc/35/90/48/1330359048.db2.gz CSUWWVYHCWGDJM-LJQANCHMSA-N 2 0 342.487 2.321 10 30 EEEERP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317180970 1332118168 /nfs/dbraw/zinc/11/81/68/1332118168.db2.gz NRXMDPRHEZVTDG-OALUTQOASA-N 2 0 333.520 2.491 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001317355499 1332192196 /nfs/dbraw/zinc/19/21/96/1332192196.db2.gz CYWJFMSZTDKPLZ-DLBZAZTESA-N 2 0 337.508 2.080 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001317642729 1332344577 /nfs/dbraw/zinc/34/45/77/1332344577.db2.gz KZDKRSRBXRPILA-RBUKOAKNSA-N 2 0 340.471 2.123 10 30 EEEERP CC[C@H](C(=O)NCC1([NH2+]CC#Cc2ccc(Cl)cc2)CC1)[NH+](C)C ZINC001323591122 1333494168 /nfs/dbraw/zinc/49/41/68/1333494168.db2.gz FWHALXQVRMPJFT-QGZVFWFLSA-N 2 0 347.890 2.270 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001325656343 1333934199 /nfs/dbraw/zinc/93/41/99/1333934199.db2.gz NYPZSOJTBNIWNI-NCXUSEDFSA-N 2 0 331.504 2.149 10 30 EEEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001326490023 1334102968 /nfs/dbraw/zinc/10/29/68/1334102968.db2.gz MCRGUMQJPZSKHO-KRWDZBQOSA-N 2 0 327.472 2.463 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC#Cc1ccccc1 ZINC001328795796 1334522885 /nfs/dbraw/zinc/52/28/85/1334522885.db2.gz FCWMQWJXGBFDSL-HXUWFJFHSA-N 2 0 341.499 2.301 10 30 EEEERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC#Cc2ccccc2)C1 ZINC001328877121 1334539697 /nfs/dbraw/zinc/53/96/97/1334539697.db2.gz WKCZCLULJJCQMM-SOAGJPPSSA-N 2 0 339.483 2.007 10 30 EEEERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001329197539 1334604435 /nfs/dbraw/zinc/60/44/35/1334604435.db2.gz VQPSNDHZVLBIET-HOTGVXAUSA-N 2 0 347.890 2.270 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCc2cccs2)CC1 ZINC001329625861 1334686703 /nfs/dbraw/zinc/68/67/03/1334686703.db2.gz YDHUGOMGDAQCDA-INIZCTEOSA-N 2 0 347.528 2.072 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C2CCC1(C[NH3+])CC2)C(C)C ZINC001331848543 1335655511 /nfs/dbraw/zinc/65/55/11/1335655511.db2.gz DWMBIEMVSXJLPQ-HFCFLWKCSA-N 2 0 334.508 2.350 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C(F)(F)F ZINC001332460969 1335829464 /nfs/dbraw/zinc/82/94/64/1335829464.db2.gz WBCOFYWRXKJWGN-KBPBESRZSA-N 2 0 347.425 2.131 10 30 EEEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C(F)(F)F ZINC001333021382 1335949086 /nfs/dbraw/zinc/94/90/86/1335949086.db2.gz OMDXSOJCHQDBAN-ZIAGYGMSSA-N 2 0 347.425 2.273 10 30 EEEERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001665799721 1355390356 /nfs/dbraw/zinc/39/03/56/1355390356.db2.gz WNMMWRHVKQNGDK-GOSISDBHSA-N 2 0 345.462 2.146 10 30 EEEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001569706163 1342927424 /nfs/dbraw/zinc/92/74/24/1342927424.db2.gz BMCFGEVYQLYMPW-MSOLQXFVSA-N 2 0 331.504 2.245 10 30 EEEERP CC#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001649462205 1353518782 /nfs/dbraw/zinc/51/87/82/1353518782.db2.gz JDGPXMHPRVOWER-RTBURBONSA-N 2 0 333.520 2.302 10 30 EEEERP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]CC#Cc3ccccc3)C2)CC1 ZINC001661486789 1354644517 /nfs/dbraw/zinc/64/45/17/1354644517.db2.gz COIXLOPXKKDHTJ-MXVIHJGJSA-N 2 0 339.483 2.007 10 30 EEEERP CC#CC[NH2+]C[C@](C)(NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001666025955 1355427695 /nfs/dbraw/zinc/42/76/95/1355427695.db2.gz CVKUJCVAMAHMCG-FQEVSTJZSA-N 2 0 327.472 2.260 10 30 EEEERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC#Cc3ccccc3)CCC2)C1 ZINC001673230135 1356655924 /nfs/dbraw/zinc/65/59/24/1356655924.db2.gz JIHQLVOOWSYYDA-LJQANCHMSA-N 2 0 339.483 2.008 10 30 EEEERP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001674271735 1356810268 /nfs/dbraw/zinc/81/02/68/1356810268.db2.gz MGXNEXHBTFAVSU-PXNSSMCTSA-N 2 0 339.483 2.067 10 30 EEEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001674343371 1356821778 /nfs/dbraw/zinc/82/17/78/1356821778.db2.gz TYTZGGCGRSCHOJ-LJQANCHMSA-N 2 0 333.520 2.445 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C[N@@H+](C)C1CCC1)CC2 ZINC001675701624 1357040468 /nfs/dbraw/zinc/04/04/68/1357040468.db2.gz HPPIDVQJMJFOMP-SFHVURJKSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CCCC1 ZINC001699797017 1405489309 /nfs/dbraw/zinc/48/93/09/1405489309.db2.gz SASHRBWYBZJILB-APWZRJJASA-N 2 0 337.483 2.097 10 30 EEEERP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001699990574 1405642485 /nfs/dbraw/zinc/64/24/85/1405642485.db2.gz FSGDULZKJPXOQM-HDICACEKSA-N 2 0 331.504 2.219 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)CC1(C)C ZINC000940811189 779354801 /nfs/dbraw/zinc/35/48/01/779354801.db2.gz BSTILCZKORATKA-VKFONMJVSA-N 2 0 337.895 2.053 10 30 EEEERP C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918000 779540683 /nfs/dbraw/zinc/54/06/83/779540683.db2.gz HZQYIZKTGMIHPC-IBGZPJMESA-N 2 0 341.499 2.254 10 30 EEEERP N#Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000922239694 800001388 /nfs/dbraw/zinc/00/13/88/800001388.db2.gz KKEMWZVZMKJFDN-KRWDZBQOSA-N 2 0 327.453 2.476 10 30 EEEERP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCCn1ccnc1 ZINC001565987709 1125483810 /nfs/dbraw/zinc/48/38/10/1125483810.db2.gz AHMZNFYSZIUOHL-QZTJIDSGSA-N 2 0 330.476 2.293 10 30 EEEERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1cccc(C#N)c1 ZINC001566565360 1125741762 /nfs/dbraw/zinc/74/17/62/1125741762.db2.gz SMESQSIRMFZGSC-KRWDZBQOSA-N 2 0 342.487 2.228 10 30 EEEERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001437163910 1089178592 /nfs/dbraw/zinc/17/85/92/1089178592.db2.gz KUGVPWHKTVBERW-YOEHRIQHSA-N 2 0 346.450 2.166 10 30 EEEERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001437382372 1089630401 /nfs/dbraw/zinc/63/04/01/1089630401.db2.gz LAROEPVIJMGAGA-QAPCUYQASA-N 2 0 328.460 2.027 10 30 EEEERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC001437598754 1090105853 /nfs/dbraw/zinc/10/58/53/1090105853.db2.gz YZHPQMQHPKXYDQ-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001439465977 1092250429 /nfs/dbraw/zinc/25/04/29/1092250429.db2.gz GYGIGBMPHQCDKY-HZPDHXFCSA-N 2 0 327.900 2.344 10 30 EEEERP C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001440310044 1093439103 /nfs/dbraw/zinc/43/91/03/1093439103.db2.gz YZNLDFVFVDPNSV-WOVMCDHWSA-N 2 0 346.450 2.024 10 30 EEEERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001440817527 1094070857 /nfs/dbraw/zinc/07/08/57/1094070857.db2.gz KJNWFQGKPMQNQY-UONOGXRCSA-N 2 0 334.439 2.022 10 30 EEEERP CN(CC(C)(C)C[NH2+]Cc1ccc(F)c(C#N)c1)C(=O)CC[NH+](C)C ZINC001440879850 1094138650 /nfs/dbraw/zinc/13/86/50/1094138650.db2.gz DELTYPMGUVJJAC-UHFFFAOYSA-N 2 0 348.466 2.223 10 30 EEEERP CC(C)N(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)CC[NH+](C)C ZINC001442114673 1096344109 /nfs/dbraw/zinc/34/41/09/1096344109.db2.gz GOGRLXVRJYUEPE-UHFFFAOYSA-N 2 0 330.476 2.179 10 30 EEEERP C[C@@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444826788 1099771554 /nfs/dbraw/zinc/77/15/54/1099771554.db2.gz YTNNMQNOURMDQE-VQIMIIECSA-N 2 0 342.487 2.227 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480472621 1100280923 /nfs/dbraw/zinc/28/09/23/1100280923.db2.gz QNJZCFQDDDSXQG-QAPCUYQASA-N 2 0 328.460 2.027 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001497200223 1102114328 /nfs/dbraw/zinc/11/43/28/1102114328.db2.gz ZCLKIGLEUFANEN-KGLIPLIRSA-N 2 0 346.313 2.254 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497252686 1102194838 /nfs/dbraw/zinc/19/48/38/1102194838.db2.gz AXGWRMGRIRNWCE-KKUMJFAQSA-N 2 0 348.516 2.334 10 30 EEEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001480730826 1106995423 /nfs/dbraw/zinc/99/54/23/1106995423.db2.gz MHDBCMYHEGPNJE-OALUTQOASA-N 2 0 331.504 2.340 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)CCC=C)CC1 ZINC001493160631 1107614212 /nfs/dbraw/zinc/61/42/12/1107614212.db2.gz IUMZSSPSTWWCJM-PKOBYXMFSA-N 2 0 331.504 2.267 10 30 EEEERP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001499530960 1112346321 /nfs/dbraw/zinc/34/63/21/1112346321.db2.gz OPHPNOQFGAMBDA-UHFFFAOYSA-N 2 0 331.504 2.055 10 30 EEEERP C#CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC2CCC2)CC1 ZINC001500037648 1112588058 /nfs/dbraw/zinc/58/80/58/1112588058.db2.gz KFXRISBUZBLBEW-FQEVSTJZSA-N 2 0 343.515 2.055 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501145585 1113214533 /nfs/dbraw/zinc/21/45/33/1113214533.db2.gz CHLUEIFWZFNVHC-LPHOPBHVSA-N 2 0 342.487 2.084 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(C)C)CC2)CC1 ZINC001501722973 1113449530 /nfs/dbraw/zinc/44/95/30/1113449530.db2.gz LPHKEAYLKGEWJA-UAPYVXQJSA-N 2 0 333.520 2.252 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406952 1113671511 /nfs/dbraw/zinc/67/15/11/1113671511.db2.gz WUEBFKXNFMHSLU-RTBURBONSA-N 2 0 345.531 2.445 10 30 EEEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001508084244 1115416041 /nfs/dbraw/zinc/41/60/41/1115416041.db2.gz GVLFEIRLYLJMAA-UONOGXRCSA-N 2 0 333.398 2.027 10 30 EEEERP C[C@](C[NH2+]CC#Cc1ccccc1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001568032842 1124240724 /nfs/dbraw/zinc/24/07/24/1124240724.db2.gz ZVGICGIOJNXIQG-OAQYLSRUSA-N 2 0 339.483 2.008 10 30 EEEERP C=C(Br)C[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568068283 1124273790 /nfs/dbraw/zinc/27/37/90/1124273790.db2.gz TYDJDXCVKQVSBG-CQSZACIVSA-N 2 0 346.313 2.065 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001568539734 1124600634 /nfs/dbraw/zinc/60/06/34/1124600634.db2.gz FMRPRCKUAFOWDG-UXHICEINSA-N 2 0 341.499 2.254 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000245686996 464507233 /nfs/dbraw/zinc/50/72/33/464507233.db2.gz WJCXAAFSKLQSBQ-RTBURBONSA-N 2 0 342.487 2.381 10 30 EEEERP C[C@@]1([NH2+]CC#CC[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)CCO[C@@H]1C1CC1 ZINC000367465509 466356735 /nfs/dbraw/zinc/35/67/35/466356735.db2.gz ZXJNNQHQKMSYCN-WTGUMLROSA-N 2 0 332.488 2.084 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000594439349 468587726 /nfs/dbraw/zinc/58/77/26/468587726.db2.gz UTWPKHBFSWEBPM-DOTOQJQBSA-N 2 0 348.516 2.488 10 30 EEEERP C[NH+]=C(NCC1([NH+](C)C)CCCCC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262480002 686313545 /nfs/dbraw/zinc/31/35/45/686313545.db2.gz RFFLVAYGHHLBDG-MRXNPFEDSA-N 2 0 346.523 2.049 10 30 EEEERP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])NC2CCCCCC2)CCC[N@@H+]1C ZINC000262680438 687915955 /nfs/dbraw/zinc/91/59/55/687915955.db2.gz VWZWCVGJRCZWBP-MAUKXSAKSA-N 2 0 346.523 2.430 10 30 EEEERP CC[C@@H](C(=O)NCC[C@@H]([NH2+]CC#Cc1ccccc1)C(C)C)[NH+](C)C ZINC001485791962 1191954895 /nfs/dbraw/zinc/95/48/95/1191954895.db2.gz QPJFFGRGBVCGGS-UXHICEINSA-N 2 0 343.515 2.499 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001671503899 1176859428 /nfs/dbraw/zinc/85/94/28/1176859428.db2.gz GTEHTMWMCDDAOU-HPFMTEOYSA-N 2 0 331.504 2.221 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH2+]CCC)CC1 ZINC001691308966 1177879661 /nfs/dbraw/zinc/87/96/61/1177879661.db2.gz JCPSPABBBXJDJF-HKUYNNGSSA-N 2 0 333.520 2.348 10 30 EEEERP CN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001691365390 1177975266 /nfs/dbraw/zinc/97/52/66/1177975266.db2.gz YZWYCRWTKHTRKW-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001267026050 1178114461 /nfs/dbraw/zinc/11/44/61/1178114461.db2.gz CNKLEXVJXYNBCG-SFHVURJKSA-N 2 0 347.890 2.222 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2CC)CC1 ZINC001480951084 1179112264 /nfs/dbraw/zinc/11/22/64/1179112264.db2.gz NVMSFURSKRTEIV-UHFFFAOYSA-N 2 0 341.499 2.142 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001481335186 1181059045 /nfs/dbraw/zinc/05/90/45/1181059045.db2.gz RVAVEKCZBJCHRL-IIAWOOMASA-N 2 0 327.900 2.296 10 30 EEEERP C=C(Br)CN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001481357512 1181115533 /nfs/dbraw/zinc/11/55/33/1181115533.db2.gz ABNJSWUCCKYHCW-CQSZACIVSA-N 2 0 346.313 2.063 10 30 EEEERP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001481504864 1181585910 /nfs/dbraw/zinc/58/59/10/1181585910.db2.gz OYLOHYPEYMVQRG-UXHICEINSA-N 2 0 341.499 2.159 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001268292227 1182184368 /nfs/dbraw/zinc/18/43/68/1182184368.db2.gz WKXZBHFQGXYNFI-WOJBJXKFSA-N 2 0 341.499 2.254 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC#Cc2ccccc2)CC[N@@H+]1C ZINC001268451883 1182647739 /nfs/dbraw/zinc/64/77/39/1182647739.db2.gz RCYOMPSDNCGFGC-VQTJNVASSA-N 2 0 341.499 2.207 10 30 EEEERP CCN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)C[NH+]1CCCC1 ZINC001268497487 1183012079 /nfs/dbraw/zinc/01/20/79/1183012079.db2.gz BXYVBTTXVBXFAS-UHFFFAOYSA-N 2 0 347.890 2.225 10 30 EEEERP C=CCOCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001269278847 1184130499 /nfs/dbraw/zinc/13/04/99/1184130499.db2.gz QDPFQCWVZMESQN-MOPGFXCFSA-N 2 0 349.519 2.177 10 30 EEEERP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001691508403 1185363839 /nfs/dbraw/zinc/36/38/39/1185363839.db2.gz NCWIXRSISFVISF-RBUKOAKNSA-N 2 0 340.471 2.123 10 30 EEEERP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001670939794 1193530098 /nfs/dbraw/zinc/53/00/98/1193530098.db2.gz MANSFVSIQRGISP-QBUWPKIASA-N 2 0 349.519 2.033 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccccc21 ZINC001483019448 1188006943 /nfs/dbraw/zinc/00/69/43/1188006943.db2.gz JUOJTQHXOGBCNC-XSXCZSQGSA-N 2 0 337.467 2.034 10 30 EEEERP C[C@H](CC(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1)n1ccnc1 ZINC001483494541 1190511187 /nfs/dbraw/zinc/51/11/87/1190511187.db2.gz OGBKWCWEGOERKV-MRXNPFEDSA-N 2 0 339.443 2.344 10 30 EEEERP C[NH+](C)CCCC(=O)NCC1([NH2+]CC#Cc2cccc(Cl)c2)CC1 ZINC001483762466 1190991776 /nfs/dbraw/zinc/99/17/76/1190991776.db2.gz JWMZRKNURUUUPN-UHFFFAOYSA-N 2 0 347.890 2.272 10 30 EEEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001485265587 1191711192 /nfs/dbraw/zinc/71/11/92/1191711192.db2.gz GBZRAVJPLAHIPW-UHFFFAOYSA-N 2 0 329.488 2.459 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CCCCC)CC2)CC1 ZINC001486521361 1194043592 /nfs/dbraw/zinc/04/35/92/1194043592.db2.gz XTZGEPZFGBLFJN-UHFFFAOYSA-N 2 0 331.504 2.270 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCC1 ZINC001273201250 1197494901 /nfs/dbraw/zinc/49/49/01/1197494901.db2.gz KOJFPYKJDVZHNN-UHFFFAOYSA-N 2 0 327.472 2.007 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000877133516 1199867072 /nfs/dbraw/zinc/86/70/72/1199867072.db2.gz DQXLKRPUNUCFMA-XYPHTWIQSA-N 2 0 335.879 2.341 10 30 EEEERP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001275182993 1205276140 /nfs/dbraw/zinc/27/61/40/1205276140.db2.gz AWILKACSMXAXIG-PMACEKPBSA-N 2 0 345.531 2.446 10 30 EEEERP C#CCC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001275632822 1205455155 /nfs/dbraw/zinc/45/51/55/1205455155.db2.gz OLFCRLJFFRWNGS-UHFFFAOYSA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000928653183 1206407902 /nfs/dbraw/zinc/40/79/02/1206407902.db2.gz CDEVPPUUBQHPIK-HXUWFJFHSA-N 2 0 339.483 2.080 10 30 EEEERP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483240424 1277864512 /nfs/dbraw/zinc/86/45/12/1277864512.db2.gz OLAUXFKUMXMRLU-INIZCTEOSA-N 2 0 340.471 2.029 10 30 EEEERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001490281184 1291109399 /nfs/dbraw/zinc/10/93/99/1291109399.db2.gz HBNFBDGVGIEGKC-GJZGRUSLSA-N 2 0 348.516 2.431 10 30 EEEERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852870819 1292222840 /nfs/dbraw/zinc/22/28/40/1292222840.db2.gz GSMKQRHEQFGMII-PXNSSMCTSA-N 2 0 339.483 2.016 10 30 EEEERP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOCCC#N)C2)ccn1 ZINC000856604806 1293580328 /nfs/dbraw/zinc/58/03/28/1293580328.db2.gz RJTNDIIUCUPCCE-LJQANCHMSA-N 2 0 346.475 2.305 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1CC ZINC001276760545 1297509329 /nfs/dbraw/zinc/50/93/29/1297509329.db2.gz INHPLHXZJCCAAO-ICSRJNTNSA-N 2 0 345.531 2.348 10 30 EEEERP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001278336027 1309552993 /nfs/dbraw/zinc/55/29/93/1309552993.db2.gz OBPLCLLYGJOQMO-PKOBYXMFSA-N 2 0 337.483 2.004 10 30 EEEERP C#CC[NH+]1CCC(C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001278632532 1317433731 /nfs/dbraw/zinc/43/37/31/1317433731.db2.gz RWSFJLAYBQQPFN-UHFFFAOYSA-N 2 0 327.472 2.213 10 30 EEEERP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001264018020 1322585868 /nfs/dbraw/zinc/58/58/68/1322585868.db2.gz UGOFRNWBFUFUGG-YZGWKJHDSA-N 2 0 345.531 2.348 10 30 EEEERP C=C(C)CC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001264189781 1322656797 /nfs/dbraw/zinc/65/67/97/1322656797.db2.gz KCKPZZXHLVHXMU-UHFFFAOYSA-N 2 0 336.505 2.035 10 30 EEEERP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001264408946 1322693230 /nfs/dbraw/zinc/69/32/30/1322693230.db2.gz XOPDBNPFHHSQEL-NZSAHSFTSA-N 2 0 345.462 2.002 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265429053 1323149874 /nfs/dbraw/zinc/14/98/74/1323149874.db2.gz KZXGRYOSDMINEY-PMACEKPBSA-N 2 0 339.483 2.101 10 30 EEEERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265824040 1323402821 /nfs/dbraw/zinc/40/28/21/1323402821.db2.gz OTLWTQKKRTXPFU-JKSUJKDBSA-N 2 0 347.890 2.128 10 30 EEEERP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001265827552 1323406421 /nfs/dbraw/zinc/40/64/21/1323406421.db2.gz RCQDDULJJABQBH-QRQLOZEOSA-N 2 0 329.488 2.392 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001265850725 1323424772 /nfs/dbraw/zinc/42/47/72/1323424772.db2.gz BCUTYBPMJCTRFP-RBUKOAKNSA-N 2 0 342.487 2.227 10 30 EEEERP C#CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001279137303 1323839085 /nfs/dbraw/zinc/83/90/85/1323839085.db2.gz DUOLDIQGEQQCLS-ROUUACIJSA-N 2 0 333.520 2.206 10 30 EEEERP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C2 ZINC001279236407 1323855148 /nfs/dbraw/zinc/85/51/48/1323855148.db2.gz FJMDUBYYHWYSDH-REPLKXPHSA-N 2 0 331.504 2.101 10 30 EEEERP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001281073086 1324753730 /nfs/dbraw/zinc/75/37/30/1324753730.db2.gz UMRDHSYELZJQJG-PXNSSMCTSA-N 2 0 341.499 2.447 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CC#Cc1ccccc1 ZINC001281964214 1325538814 /nfs/dbraw/zinc/53/88/14/1325538814.db2.gz DAJNPYKUPPLUJF-HXUWFJFHSA-N 2 0 341.499 2.303 10 30 EEEERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001492083642 1330991321 /nfs/dbraw/zinc/99/13/21/1330991321.db2.gz MGEZPASFHDTEKR-HUUCEWRRSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317041342 1332056160 /nfs/dbraw/zinc/05/61/60/1332056160.db2.gz VAFQOGKSQPZCBE-QUCCMNQESA-N 2 0 341.499 2.483 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001317346759 1332188958 /nfs/dbraw/zinc/18/89/58/1332188958.db2.gz YJJDSRSFELNCNC-LJQANCHMSA-N 2 0 345.531 2.350 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319285715 1332675401 /nfs/dbraw/zinc/67/54/01/1332675401.db2.gz PHXZTEUTMJGZHL-ICSRJNTNSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC=C(C)C)CC1 ZINC001324432005 1333681297 /nfs/dbraw/zinc/68/12/97/1333681297.db2.gz MZMIZMNRKBXABX-SFHVURJKSA-N 2 0 331.504 2.221 10 30 EEEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001326489557 1334102922 /nfs/dbraw/zinc/10/29/22/1334102922.db2.gz AFNFECMVRZMOLA-FQEVSTJZSA-N 2 0 341.499 2.488 10 30 EEEERP C#CC[N@H+]1CCc2c(CNC(=O)CC3CC[NH+](C)CC3)cccc2C1 ZINC001326673540 1334140179 /nfs/dbraw/zinc/14/01/79/1334140179.db2.gz CNMICUKQABKLBJ-UHFFFAOYSA-N 2 0 339.483 2.026 10 30 EEEERP C=CCC[NH2+]CC1CC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001328916192 1334547584 /nfs/dbraw/zinc/54/75/84/1334547584.db2.gz WCAVXGCSDMTWNF-JMLCCBQJSA-N 2 0 325.472 2.259 10 30 EEEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001567198448 1342709779 /nfs/dbraw/zinc/70/97/79/1342709779.db2.gz IKNKRFYXBQIUOP-LPHOPBHVSA-N 2 0 337.483 2.145 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)C[C@@H](F)CC)C2)CC1 ZINC001567202571 1342711578 /nfs/dbraw/zinc/71/15/78/1342711578.db2.gz IFYQIMYGRSPZBM-ZWKOTPCHSA-N 2 0 337.483 2.003 10 30 EEEERP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001570275610 1343049353 /nfs/dbraw/zinc/04/93/53/1343049353.db2.gz YXJCIFFUNPRTED-QUCCMNQESA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001571645332 1343260288 /nfs/dbraw/zinc/26/02/88/1343260288.db2.gz BCVJVYJPLQMVBL-GOSISDBHSA-N 2 0 341.499 2.011 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001676784488 1357200024 /nfs/dbraw/zinc/20/00/24/1357200024.db2.gz VZJRFGVDMVMCKU-HOTGVXAUSA-N 2 0 331.460 2.337 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001677238602 1357298943 /nfs/dbraw/zinc/29/89/43/1357298943.db2.gz WRSJWEFEEIYWAX-OALUTQOASA-N 2 0 341.499 2.253 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c(F)c1 ZINC001677642480 1357381013 /nfs/dbraw/zinc/38/10/13/1357381013.db2.gz CBNXMRHBEUTFQK-MJGOQNOKSA-N 2 0 343.446 2.182 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001661959081 1354728338 /nfs/dbraw/zinc/72/83/38/1354728338.db2.gz HJDBMDQERXMZHZ-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP C[NH+](C)CCCC(=O)N1CCC[C@@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC001662856499 1354866620 /nfs/dbraw/zinc/86/66/20/1354866620.db2.gz PKTOIWABLXEVDQ-HXUWFJFHSA-N 2 0 341.499 2.303 10 30 EEEERP C#CCC[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001664894369 1355254445 /nfs/dbraw/zinc/25/44/45/1355254445.db2.gz TZMXVQJYFKERLW-UHFFFAOYSA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001665686335 1355360369 /nfs/dbraw/zinc/36/03/69/1355360369.db2.gz HZWIYKAUZPWBTF-MJGOQNOKSA-N 2 0 331.504 2.219 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001666111257 1355454479 /nfs/dbraw/zinc/45/44/79/1355454479.db2.gz PWIMNFLDTXFOCA-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001666673848 1355564028 /nfs/dbraw/zinc/56/40/28/1355564028.db2.gz XKBRMGCYABKFOJ-MRXNPFEDSA-N 2 0 349.906 2.374 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCCC=C)CC1 ZINC001667768694 1355811455 /nfs/dbraw/zinc/81/14/55/1355811455.db2.gz AZTJORMNBFUQFO-RBUKOAKNSA-N 2 0 331.504 2.172 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001671535996 1356357835 /nfs/dbraw/zinc/35/78/35/1356357835.db2.gz KCYOKCNAZOABEN-SFHVURJKSA-N 2 0 331.504 2.150 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1CC ZINC001672177147 1356474115 /nfs/dbraw/zinc/47/41/15/1356474115.db2.gz SBOLFHMLLQGZLR-RBUKOAKNSA-N 2 0 327.472 2.113 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]C[C@H](C)CC)C2)CC1 ZINC001672915239 1356614091 /nfs/dbraw/zinc/61/40/91/1356614091.db2.gz GRZWHCCIOPKHNK-QZTJIDSGSA-N 2 0 333.520 2.206 10 30 EEEERP C#CCC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001698803484 1405076745 /nfs/dbraw/zinc/07/67/45/1405076745.db2.gz NJGKUEVBNGKOKE-UHFFFAOYSA-N 2 0 327.472 2.404 10 30 EEEERP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001699827149 1405512735 /nfs/dbraw/zinc/51/27/35/1405512735.db2.gz VEZRBCZXNZFPFM-FQEVSTJZSA-N 2 0 345.487 2.145 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](CCCC)C2)CC1 ZINC001699878875 1405545813 /nfs/dbraw/zinc/54/58/13/1405545813.db2.gz DEPVWWGTAABFDH-FQEVSTJZSA-N 2 0 333.520 2.350 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001699943372 1405593106 /nfs/dbraw/zinc/59/31/06/1405593106.db2.gz HNCUFOQBIOMGNY-MSOLQXFVSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(C[NH+](C)C)C(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC000911567335 787542913 /nfs/dbraw/zinc/54/29/13/787542913.db2.gz ASNPUHUQUJTTFX-OALUTQOASA-N 2 0 327.472 2.372 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000913999218 794717683 /nfs/dbraw/zinc/71/76/83/794717683.db2.gz MMBPCNZAEBDKGV-SFHVURJKSA-N 2 0 336.524 2.140 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)CC1 ZINC000922424238 801025630 /nfs/dbraw/zinc/02/56/30/801025630.db2.gz MLCBTLRSMDMHRT-DOTOQJQBSA-N 2 0 346.475 2.106 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)CC1 ZINC000922424242 801026160 /nfs/dbraw/zinc/02/61/60/801026160.db2.gz MLCBTLRSMDMHRT-RDJZCZTQSA-N 2 0 346.475 2.106 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001437310231 1089468473 /nfs/dbraw/zinc/46/84/73/1089468473.db2.gz JKPGPROMNOQAHN-RHSMWYFYSA-N 2 0 345.890 2.390 10 30 EEEERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437382089 1089631554 /nfs/dbraw/zinc/63/15/54/1089631554.db2.gz JWEBYCHCCAWXCO-RDTXWAMCSA-N 2 0 346.450 2.166 10 30 EEEERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001439256091 1091905603 /nfs/dbraw/zinc/90/56/03/1091905603.db2.gz GARZDSUJCMORJS-LPHOPBHVSA-N 2 0 342.487 2.415 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001446185533 1092259133 /nfs/dbraw/zinc/25/91/33/1092259133.db2.gz WLMJFCZBZAWHFR-SFHVURJKSA-N 2 0 340.471 2.171 10 30 EEEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001441413812 1094993999 /nfs/dbraw/zinc/99/39/99/1094993999.db2.gz UJJYQDOSZNICBI-OAHLLOKOSA-N 2 0 327.900 2.488 10 30 EEEERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001443882182 1098408869 /nfs/dbraw/zinc/40/88/69/1098408869.db2.gz SNJVRPACCQKJRU-IBGZPJMESA-N 2 0 342.487 2.321 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001479624731 1098649452 /nfs/dbraw/zinc/64/94/52/1098649452.db2.gz CTSJXIUJMYYZCR-CABCVRRESA-N 2 0 347.425 2.275 10 30 EEEERP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001496412741 1101005623 /nfs/dbraw/zinc/00/56/23/1101005623.db2.gz CQFLFCWIHYJZEK-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001447903331 1103559761 /nfs/dbraw/zinc/55/97/61/1103559761.db2.gz DMGMOISAAFEWPN-UONOGXRCSA-N 2 0 334.439 2.022 10 30 EEEERP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001498119772 1106947648 /nfs/dbraw/zinc/94/76/48/1106947648.db2.gz UGGVAQQPSZRUND-UHOSZYNNSA-N 2 0 329.488 2.392 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001480717520 1106953818 /nfs/dbraw/zinc/95/38/18/1106953818.db2.gz UIBGUESBOSVEOH-FQEVSTJZSA-N 2 0 341.499 2.189 10 30 EEEERP C=CC[N@H+](CCC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001493332480 1107943709 /nfs/dbraw/zinc/94/37/09/1107943709.db2.gz XLSZUFMRHUIRCP-MOPGFXCFSA-N 2 0 329.488 2.346 10 30 EEEERP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001499929713 1112545090 /nfs/dbraw/zinc/54/50/90/1112545090.db2.gz KPTMHHJWPMCNDY-MSOLQXFVSA-N 2 0 337.508 2.033 10 30 EEEERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001499945652 1112551413 /nfs/dbraw/zinc/55/14/13/1112551413.db2.gz ZDMWDZGLQIRRPX-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC(=C)C)C2CCCC2)CC1 ZINC001500130414 1112631240 /nfs/dbraw/zinc/63/12/40/1112631240.db2.gz FDTXENAFXFJBRW-LJQANCHMSA-N 2 0 331.504 2.172 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C#N)s1 ZINC001501400197 1113344045 /nfs/dbraw/zinc/34/40/45/1113344045.db2.gz QOTRVSCTTFKGBE-IAGOWNOFSA-N 2 0 346.500 2.137 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001501617892 1113401501 /nfs/dbraw/zinc/40/15/01/1113401501.db2.gz GJELXLAVMJKWKH-QFBILLFUSA-N 2 0 337.483 2.050 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CC3CC(C)C3)C2)CC1 ZINC001501652019 1113415971 /nfs/dbraw/zinc/41/59/71/1113415971.db2.gz VNVVUVKLTNXQIC-XBMUEBEBSA-N 2 0 345.531 2.206 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001501651586 1113416007 /nfs/dbraw/zinc/41/60/07/1113416007.db2.gz QKNBWDRNYABNBD-KRWDZBQOSA-N 2 0 327.472 2.213 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CCc1ccccc1 ZINC001505447103 1113981786 /nfs/dbraw/zinc/98/17/86/1113981786.db2.gz ZHTQUOOISPYHOE-HXUWFJFHSA-N 2 0 341.499 2.107 10 30 EEEERP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001506005615 1114337327 /nfs/dbraw/zinc/33/73/27/1114337327.db2.gz DXRBVJMBMXYZOE-UHOSZYNNSA-N 2 0 329.488 2.344 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506934698 1114985311 /nfs/dbraw/zinc/98/53/11/1114985311.db2.gz XTPPMQFNRYPUKO-KBXCAEBGSA-N 2 0 346.450 2.166 10 30 EEEERP C#CCC[NH2+]CCCN(Cc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001506971874 1115022131 /nfs/dbraw/zinc/02/21/31/1115022131.db2.gz QCJOYDRCZCRJRM-UHFFFAOYSA-N 2 0 341.499 2.360 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001507427835 1115263203 /nfs/dbraw/zinc/26/32/03/1115263203.db2.gz LSTYDAMPYNFUIS-CABCVRRESA-N 2 0 348.516 2.334 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCC=C)C2)CC1 ZINC001567884424 1124156828 /nfs/dbraw/zinc/15/68/28/1124156828.db2.gz JTKSVNWTBJQWOC-IBGZPJMESA-N 2 0 331.504 2.269 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001568396511 1124466534 /nfs/dbraw/zinc/46/65/34/1124466534.db2.gz GVZQRAAVPMJCBC-IBGZPJMESA-N 2 0 333.520 2.491 10 30 EEEERP CO[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451555595 286057784 /nfs/dbraw/zinc/05/77/84/286057784.db2.gz JBOZOJUIAFIYHZ-ROUUACIJSA-N 2 0 336.520 2.484 10 30 EEEERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]2C1 ZINC000193649685 160184900 /nfs/dbraw/zinc/18/49/00/160184900.db2.gz OVSZVAVZOZBBIQ-OKILXGFUSA-N 2 0 332.835 2.034 10 30 EEEERP CCC[N@H+](C)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000351595910 465242076 /nfs/dbraw/zinc/24/20/76/465242076.db2.gz ZBTBJLLBTXGOTD-UHFFFAOYSA-N 2 0 328.460 2.003 10 30 EEEERP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000593919567 468434991 /nfs/dbraw/zinc/43/49/91/468434991.db2.gz YRFMHTKAZWHPQX-YJBOKZPZSA-N 2 0 340.471 2.027 10 30 EEEERP N#Cc1csc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000594969426 468735143 /nfs/dbraw/zinc/73/51/43/468735143.db2.gz PODXALNOUMLHCB-UHFFFAOYSA-N 2 0 327.457 2.412 10 30 EEEERP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595944693 469094069 /nfs/dbraw/zinc/09/40/69/469094069.db2.gz IVWLWQQQJNXXNM-OALUTQOASA-N 2 0 342.487 2.173 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000573561692 469162402 /nfs/dbraw/zinc/16/24/02/469162402.db2.gz GIPGSCDHKMKSFY-LJQANCHMSA-N 2 0 342.487 2.295 10 30 EEEERP C#CCN(C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000914357202 683530313 /nfs/dbraw/zinc/53/03/13/683530313.db2.gz CAVOXIZUIGDPPR-KZNAEPCWSA-N 2 0 348.535 2.092 10 30 EEEERP C[NH+]=C(NC[C@H](O)C1CCCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262790084 688473608 /nfs/dbraw/zinc/47/36/08/688473608.db2.gz NSNMORATZZXXDT-FBVQUNGASA-N 2 0 336.524 2.108 10 30 EEEERP CC[NH+]=C(NCc1csc(CC)n1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262798922 688501323 /nfs/dbraw/zinc/50/13/23/688501323.db2.gz QNUMOJQWGPSVKA-HNNXBMFYSA-N 2 0 333.505 2.117 10 30 EEEERP C=C(Br)C[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485734903 1191914601 /nfs/dbraw/zinc/91/46/01/1191914601.db2.gz DJXDSTAXGUGICC-ZDUSSCGKSA-N 2 0 346.313 2.111 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CC=C(C)C)C2)CC1 ZINC001267093659 1178225473 /nfs/dbraw/zinc/22/54/73/1178225473.db2.gz MXNHBHDSABFDDU-OALUTQOASA-N 2 0 331.504 2.315 10 30 EEEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001267190176 1178461456 /nfs/dbraw/zinc/46/14/56/1178461456.db2.gz DMMJGUYQEXTACL-PKOBYXMFSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001267488240 1179155516 /nfs/dbraw/zinc/15/55/16/1179155516.db2.gz HORIOUZWOMTUMS-KRWDZBQOSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001481452310 1181389147 /nfs/dbraw/zinc/38/91/47/1181389147.db2.gz LVADRTGJNNWIEQ-SFHVURJKSA-N 2 0 327.472 2.213 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)C[C@@H](C)CC)C2)CC1 ZINC001481510350 1181599909 /nfs/dbraw/zinc/59/99/09/1181599909.db2.gz UUWIXTUEUVQMPS-ZWKOTPCHSA-N 2 0 333.520 2.158 10 30 EEEERP C#CC[N@@H+](C)CC1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001481516801 1181624676 /nfs/dbraw/zinc/62/46/76/1181624676.db2.gz MWHHJXQVXFCUBI-UHFFFAOYSA-N 2 0 341.499 2.208 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001268163891 1181882542 /nfs/dbraw/zinc/88/25/42/1181882542.db2.gz RPLZTFVAKQFDJW-HXUWFJFHSA-N 2 0 341.499 2.398 10 30 EEEERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001268215879 1182026630 /nfs/dbraw/zinc/02/66/30/1182026630.db2.gz BVCGVKMGPSRELT-SFHVURJKSA-N 2 0 349.906 2.374 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481985937 1183089057 /nfs/dbraw/zinc/08/90/57/1183089057.db2.gz XMCGPIQEAJCLSJ-HNNXBMFYSA-N 2 0 327.900 2.299 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001268630919 1183556386 /nfs/dbraw/zinc/55/63/86/1183556386.db2.gz SMLLBVJYBWPUPS-VZSQWMKGSA-N 2 0 340.471 2.195 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCC)C[C@H]2C)CC1 ZINC001671256661 1184933339 /nfs/dbraw/zinc/93/33/39/1184933339.db2.gz IVYHIXQWVNMPGY-IEBWSBKVSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC2CCCC2)CC1 ZINC001270359014 1185044342 /nfs/dbraw/zinc/04/43/42/1185044342.db2.gz PSXCWBNYDJEJIV-UHFFFAOYSA-N 2 0 343.515 2.199 10 30 EEEERP CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001270569863 1185178440 /nfs/dbraw/zinc/17/84/40/1185178440.db2.gz ZZPZADJWCAKWNF-CRAIPNDOSA-N 2 0 349.906 2.374 10 30 EEEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001270737370 1185355868 /nfs/dbraw/zinc/35/58/68/1185355868.db2.gz KYQVOKVBIANYSC-SFHVURJKSA-N 2 0 333.501 2.275 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482367421 1185525644 /nfs/dbraw/zinc/52/56/44/1185525644.db2.gz GWVULUIJTDVZQL-IBGZPJMESA-N 2 0 341.499 2.351 10 30 EEEERP C=C(Br)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001482537417 1186588966 /nfs/dbraw/zinc/58/89/66/1186588966.db2.gz CHLQGHOKDPOXIA-KBPBESRZSA-N 2 0 346.313 2.110 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482888364 1187814497 /nfs/dbraw/zinc/81/44/97/1187814497.db2.gz JKZFCZCQAGNQDT-GOEBONIOSA-N 2 0 346.450 2.024 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)CCc1c[nH]cn1 ZINC001483134517 1188661833 /nfs/dbraw/zinc/66/18/33/1188661833.db2.gz LOGFVMDDDQIYMX-CQSZACIVSA-N 2 0 344.846 2.142 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001485883119 1193628793 /nfs/dbraw/zinc/62/87/93/1193628793.db2.gz ONAZYPWEWWKZGE-UONOGXRCSA-N 2 0 346.313 2.206 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001485883120 1193628934 /nfs/dbraw/zinc/62/89/34/1193628934.db2.gz ONAZYPWEWWKZGE-ZIAGYGMSSA-N 2 0 346.313 2.206 10 30 EEEERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC#Cc1ccccc1)CC2 ZINC001486143654 1193695582 /nfs/dbraw/zinc/69/55/82/1193695582.db2.gz CALNCQFTVRKMOV-FPOVZHCZSA-N 2 0 339.483 2.103 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001272456498 1190831779 /nfs/dbraw/zinc/83/17/79/1190831779.db2.gz GILTZBBOOPFYFL-HKUYNNGSSA-N 2 0 331.504 2.245 10 30 EEEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001484116727 1191218775 /nfs/dbraw/zinc/21/87/75/1191218775.db2.gz ITOCUGHUNUDWAZ-FQEVSTJZSA-N 2 0 327.472 2.213 10 30 EEEERP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC001486187949 1193729748 /nfs/dbraw/zinc/72/97/48/1193729748.db2.gz CCPYBDOZPGOBJP-WOJBJXKFSA-N 2 0 341.499 2.201 10 30 EEEERP CN(C(=O)CCCC[NH+](C)C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001486481350 1193995719 /nfs/dbraw/zinc/99/57/19/1193995719.db2.gz KPOXTPLWEJZFQR-UHFFFAOYSA-N 2 0 342.487 2.369 10 30 EEEERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001273130760 1194414549 /nfs/dbraw/zinc/41/45/49/1194414549.db2.gz DOVUSEFZQVGLAI-MAUKXSAKSA-N 2 0 330.476 2.129 10 30 EEEERP C#CCC1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCCCC1 ZINC000870019734 1200410978 /nfs/dbraw/zinc/41/09/78/1200410978.db2.gz NXAMCMMRTDPSAN-QZTJIDSGSA-N 2 0 333.520 2.158 10 30 EEEERP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000867964020 1201716149 /nfs/dbraw/zinc/71/61/49/1201716149.db2.gz SBTMTQDBUMQLTF-HXUWFJFHSA-N 2 0 346.434 2.183 10 30 EEEERP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000303986691 1213936242 /nfs/dbraw/zinc/93/62/42/1213936242.db2.gz UQGRGCFKBNIGIC-CYBMUJFWSA-N 2 0 340.855 2.186 10 30 EEEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(F)c(F)c(F)c1 ZINC000305886494 1217423280 /nfs/dbraw/zinc/42/32/80/1217423280.db2.gz YJCZEIQCGSPFGN-GFCCVEGCSA-N 2 0 328.382 2.035 10 30 EEEERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc(C#N)ccn1 ZINC000903047447 1239613846 /nfs/dbraw/zinc/61/38/46/1239613846.db2.gz OFOQJDGXAJZVSE-HNNXBMFYSA-N 2 0 328.460 2.495 10 30 EEEERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001491486902 1259136535 /nfs/dbraw/zinc/13/65/35/1259136535.db2.gz QYQRFERBBGELJG-CRAIPNDOSA-N 2 0 328.460 2.027 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001489097153 1290369341 /nfs/dbraw/zinc/36/93/41/1290369341.db2.gz UMQPVCKWHGZOOM-KGLIPLIRSA-N 2 0 335.414 2.131 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001493146152 1290569501 /nfs/dbraw/zinc/56/95/01/1290569501.db2.gz CZEQYPMXSHWVLG-IRXDYDNUSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[N@H+]1CCCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001276887240 1300114834 /nfs/dbraw/zinc/11/48/34/1300114834.db2.gz ZKAAKCCEMCENQB-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001278200709 1306285851 /nfs/dbraw/zinc/28/58/51/1306285851.db2.gz RPLBYVGBEXCSBZ-MRXNPFEDSA-N 2 0 325.472 2.001 10 30 EEEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001156672427 1318152940 /nfs/dbraw/zinc/15/29/40/1318152940.db2.gz NWQQNKZOIWAHDP-IBGZPJMESA-N 2 0 329.488 2.475 10 30 EEEERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC001265119431 1322929676 /nfs/dbraw/zinc/92/96/76/1322929676.db2.gz GAUDHTYUBKBOHY-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001266040705 1323591907 /nfs/dbraw/zinc/59/19/07/1323591907.db2.gz MZQGQQCRDGLCLH-KRWDZBQOSA-N 2 0 333.520 2.206 10 30 EEEERP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001266231453 1323811279 /nfs/dbraw/zinc/81/12/79/1323811279.db2.gz IVSTYAUMDOYNIR-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001266232206 1323812724 /nfs/dbraw/zinc/81/27/24/1323812724.db2.gz UNTUJZIFWTZACY-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C2(NC(=O)CCC[NH+]3CCCCC3)CC2)CC1 ZINC001279368198 1323888736 /nfs/dbraw/zinc/88/87/36/1323888736.db2.gz JQWPMWRJTYVGMD-UHFFFAOYSA-N 2 0 331.504 2.247 10 30 EEEERP C=CCC[C@@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+]1CCCCC1)CO2 ZINC001280979959 1324691967 /nfs/dbraw/zinc/69/19/67/1324691967.db2.gz RKFXDSKUORYSSX-MSOLQXFVSA-N 2 0 349.519 2.177 10 30 EEEERP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001281911904 1325505687 /nfs/dbraw/zinc/50/56/87/1325505687.db2.gz BPJDKNTXCWNRJK-UYAOXDASSA-N 2 0 327.472 2.420 10 30 EEEERP C#CCC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001283351211 1326024780 /nfs/dbraw/zinc/02/47/80/1326024780.db2.gz OAUSMICBHXIPCV-IBGZPJMESA-N 2 0 327.472 2.112 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C(F)(F)F ZINC001284364642 1326521688 /nfs/dbraw/zinc/52/16/88/1326521688.db2.gz RMNCEQFYKDKCTE-KGLIPLIRSA-N 2 0 347.425 2.273 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001492021789 1330410525 /nfs/dbraw/zinc/41/05/25/1330410525.db2.gz KGLAQWPTUZNYCR-APWZRJJASA-N 2 0 342.487 2.415 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492177437 1331056175 /nfs/dbraw/zinc/05/61/75/1331056175.db2.gz GRCZKJTXDMTOOH-RBUKOAKNSA-N 2 0 333.520 2.491 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001316775335 1331887871 /nfs/dbraw/zinc/88/78/71/1331887871.db2.gz ZYCLXNWSHXKWLH-HXUWFJFHSA-N 2 0 341.499 2.351 10 30 EEEERP C[NH+](CC(=O)NCCC[N@@H+](C)CC#Cc1ccc(F)cc1)C1CCC1 ZINC001316829055 1331919322 /nfs/dbraw/zinc/91/93/22/1331919322.db2.gz ZDWCPGSOJPIZBG-UHFFFAOYSA-N 2 0 345.462 2.100 10 30 EEEERP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001317007815 1332042603 /nfs/dbraw/zinc/04/26/03/1332042603.db2.gz RMFNVCZCURATIH-ZWKOTPCHSA-N 2 0 331.504 2.101 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001317108599 1332083169 /nfs/dbraw/zinc/08/31/69/1332083169.db2.gz CBZLLUGBAUCOAK-HSALFYBXSA-N 2 0 339.483 2.148 10 30 EEEERP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317857250 1332433196 /nfs/dbraw/zinc/43/31/96/1332433196.db2.gz PGVZYQXFODFSBK-QUCCMNQESA-N 2 0 341.499 2.483 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001318804636 1332600916 /nfs/dbraw/zinc/60/09/16/1332600916.db2.gz KUWGAKRLECGXBK-OALUTQOASA-N 2 0 333.520 2.348 10 30 EEEERP CC[N@H+](C)CCC(=O)NC/C=C\C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001321321914 1333073853 /nfs/dbraw/zinc/07/38/53/1333073853.db2.gz JJXXGBSGHMXWPL-PLNGDYQASA-N 2 0 347.890 2.295 10 30 EEEERP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001324432039 1333681491 /nfs/dbraw/zinc/68/14/91/1333681491.db2.gz NZBASBFKRUNELR-UYAOXDASSA-N 2 0 343.515 2.056 10 30 EEEERP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001325056381 1333820383 /nfs/dbraw/zinc/82/03/83/1333820383.db2.gz ZANYNGZVMAWAND-CVEARBPZSA-N 2 0 343.462 2.368 10 30 EEEERP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001325541676 1333907191 /nfs/dbraw/zinc/90/71/91/1333907191.db2.gz DGBVWCLOOVNXMW-ROUUACIJSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001326489558 1334103273 /nfs/dbraw/zinc/10/32/73/1334103273.db2.gz AFNFECMVRZMOLA-HXUWFJFHSA-N 2 0 341.499 2.488 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001329203208 1334605679 /nfs/dbraw/zinc/60/56/79/1334605679.db2.gz QYKZDYCUBINSCV-WHJZCPEBSA-N 2 0 346.302 2.133 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001332149328 1335744672 /nfs/dbraw/zinc/74/46/72/1335744672.db2.gz UGLTWZFYBOAOLM-CEXWTWQISA-N 2 0 331.504 2.102 10 30 EEEERP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001570220924 1343035815 /nfs/dbraw/zinc/03/58/15/1343035815.db2.gz YGUSOVXVMRKPTE-RBUKOAKNSA-N 2 0 345.531 2.302 10 30 EEEERP C#CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001570271852 1343045915 /nfs/dbraw/zinc/04/59/15/1343045915.db2.gz PNOXKWFGZWORCG-HXUWFJFHSA-N 2 0 341.499 2.285 10 30 EEEERP C=C(C[NH+](C)C)C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC001597684826 1349930282 /nfs/dbraw/zinc/93/02/82/1349930282.db2.gz XGXTUJPXXAQFBJ-KRWDZBQOSA-N 2 0 343.471 2.209 10 30 EEEERP C=C(C[NH+](C)C)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC001625567417 1352451877 /nfs/dbraw/zinc/45/18/77/1352451877.db2.gz ILUXDWPHVCPXPC-UHFFFAOYSA-N 2 0 342.487 2.275 10 30 EEEERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001660371728 1354450722 /nfs/dbraw/zinc/45/07/22/1354450722.db2.gz FDFZIDVDMJLADI-SFHVURJKSA-N 2 0 330.476 2.083 10 30 EEEERP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001661067944 1354584628 /nfs/dbraw/zinc/58/46/28/1354584628.db2.gz CATRISUKPJPEDL-GOSISDBHSA-N 2 0 345.531 2.493 10 30 EEEERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)C1CC1 ZINC001661142964 1354597315 /nfs/dbraw/zinc/59/73/15/1354597315.db2.gz PNWWEDMDFXNAIT-WOJBJXKFSA-N 2 0 339.483 2.007 10 30 EEEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001661213496 1354608243 /nfs/dbraw/zinc/60/82/43/1354608243.db2.gz SNTCWTYDGXJMRY-PKOBYXMFSA-N 2 0 333.520 2.465 10 30 EEEERP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001663537321 1354983146 /nfs/dbraw/zinc/98/31/46/1354983146.db2.gz MEVONVHWUTZGQY-RBUKOAKNSA-N 2 0 327.472 2.283 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001672796892 1356586197 /nfs/dbraw/zinc/58/61/97/1356586197.db2.gz YCQSXQZVBJYAPC-RTBURBONSA-N 2 0 345.531 2.493 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001674481689 1356844078 /nfs/dbraw/zinc/84/40/78/1356844078.db2.gz YLYXBTQTGZPITD-VQIMIIECSA-N 2 0 337.483 2.145 10 30 EEEERP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCCCCC)C2)CC1 ZINC001699694587 1405449164 /nfs/dbraw/zinc/44/91/64/1405449164.db2.gz KPUGOXMHKNKCQJ-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP C=CCC[NH+]1CCC2(CO[C@@H](CNC(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001699775013 1405481248 /nfs/dbraw/zinc/48/12/48/1405481248.db2.gz GJHNSOQTAWCCNG-QGZVFWFLSA-N 2 0 349.519 2.034 10 30 EEEERP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000939147480 775690770 /nfs/dbraw/zinc/69/07/70/775690770.db2.gz OMCKKNYNNLXAQM-LPHOPBHVSA-N 2 0 329.488 2.417 10 30 EEEERP C#CCN(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000914078581 794839225 /nfs/dbraw/zinc/83/92/25/794839225.db2.gz FIXFIVYPDLINIU-QZTJIDSGSA-N 2 0 348.535 2.093 10 30 EEEERP C#CCN(C(=O)NC[C@@H]1CCCC[N@H+]1CCCC)C1CC[NH+](C)CC1 ZINC000917578911 798286688 /nfs/dbraw/zinc/28/66/88/798286688.db2.gz ZJSJQMSGSYNTOG-IBGZPJMESA-N 2 0 348.535 2.380 10 30 EEEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001565974156 1125479345 /nfs/dbraw/zinc/47/93/45/1125479345.db2.gz WDPSXTBEGCCLLB-QRVBRYPASA-N 2 0 333.520 2.491 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001437310239 1089468211 /nfs/dbraw/zinc/46/82/11/1089468211.db2.gz JKPGPROMNOQAHN-YOEHRIQHSA-N 2 0 345.890 2.390 10 30 EEEERP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001438846835 1091483688 /nfs/dbraw/zinc/48/36/88/1091483688.db2.gz HQBICNWOQWYNGS-INIZCTEOSA-N 2 0 336.505 2.190 10 30 EEEERP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cc(F)ccc1C#N ZINC001443975665 1098493085 /nfs/dbraw/zinc/49/30/85/1098493085.db2.gz ASLKETQSIVNBFN-QGZVFWFLSA-N 2 0 346.450 2.024 10 30 EEEERP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001479501519 1098568982 /nfs/dbraw/zinc/56/89/82/1098568982.db2.gz CWVSJSINZATFEU-SFHVURJKSA-N 2 0 333.520 2.445 10 30 EEEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001479982248 1099437464 /nfs/dbraw/zinc/43/74/64/1099437464.db2.gz VMVNAKDXEHBRHM-QZTJIDSGSA-N 2 0 331.504 2.265 10 30 EEEERP CC[C@@H](C(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)CC(C)C)[NH+](C)C ZINC001496302998 1100891003 /nfs/dbraw/zinc/89/10/03/1100891003.db2.gz YHDIDRYOKMRTII-UXHICEINSA-N 2 0 343.515 2.499 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCc1ccccc1)C(C)C ZINC001496570211 1101171098 /nfs/dbraw/zinc/17/10/98/1101171098.db2.gz OAGQKEFZLTUPAP-PMACEKPBSA-N 2 0 341.499 2.057 10 30 EEEERP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001495914276 1101756522 /nfs/dbraw/zinc/75/65/22/1101756522.db2.gz DNYDUUZRPKJUER-KRWDZBQOSA-N 2 0 331.504 2.293 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001497437253 1102486994 /nfs/dbraw/zinc/48/69/94/1102486994.db2.gz SIVYNKMTYTVHRJ-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001495048013 1104685855 /nfs/dbraw/zinc/68/58/55/1104685855.db2.gz BFXXLRXQVIDQRM-KRWDZBQOSA-N 2 0 335.879 2.128 10 30 EEEERP C=C(Br)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001498552074 1107708192 /nfs/dbraw/zinc/70/81/92/1107708192.db2.gz NIWVBZCFFUKSHG-AWEZNQCLSA-N 2 0 346.313 2.206 10 30 EEEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC001467727533 1110462467 /nfs/dbraw/zinc/46/24/67/1110462467.db2.gz KIGBMOOKLBJZCZ-LJQANCHMSA-N 2 0 344.503 2.260 10 30 EEEERP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001501394716 1113340705 /nfs/dbraw/zinc/34/07/05/1113340705.db2.gz JJEOYWZYCPAPGI-ZWKOTPCHSA-N 2 0 331.504 2.197 10 30 EEEERP C=CCC[NH2+]C1CCC(N(C)C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001505788504 1114193139 /nfs/dbraw/zinc/19/31/39/1114193139.db2.gz YMXNZKULAFVHNB-UHFFFAOYSA-N 2 0 337.508 2.033 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001505921924 1114277952 /nfs/dbraw/zinc/27/79/52/1114277952.db2.gz CCHUWTKNBDHZNO-ZYSHUDEJSA-N 2 0 342.487 2.225 10 30 EEEERP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001506506569 1114658480 /nfs/dbraw/zinc/65/84/80/1114658480.db2.gz YXKYJWHDGFQYNC-INIZCTEOSA-N 2 0 339.911 2.489 10 30 EEEERP C=CC[NH+]1CC=C(CNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001508218920 1115450069 /nfs/dbraw/zinc/45/00/69/1115450069.db2.gz LAYIMHMDPTUIRG-UHFFFAOYSA-N 2 0 327.472 2.095 10 30 EEEERP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001568431309 1124499441 /nfs/dbraw/zinc/49/94/41/1124499441.db2.gz HITXYXYPNXHIKR-PKOBYXMFSA-N 2 0 333.520 2.347 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1Cl ZINC001568826761 1124843868 /nfs/dbraw/zinc/84/38/68/1124843868.db2.gz HQQFLBAXBVBSFU-XDXAGZTOSA-N 2 0 345.874 2.048 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC#Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001568993706 1125027035 /nfs/dbraw/zinc/02/70/35/1125027035.db2.gz OUOYUUBKFDRYHM-AYOQOUSVSA-N 2 0 345.462 2.002 10 30 EEEERP C[NH+](C)CC1CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000564852985 319118345 /nfs/dbraw/zinc/11/83/45/319118345.db2.gz WFNHYMMLZNGXPI-UHFFFAOYSA-N 2 0 349.500 2.042 10 30 EEEERP Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000328659891 465092916 /nfs/dbraw/zinc/09/29/16/465092916.db2.gz UJDLHDUISMVNEQ-XHSDSOJGSA-N 2 0 331.464 2.151 10 30 EEEERP C[NH+](C)CCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278706440 463978009 /nfs/dbraw/zinc/97/80/09/463978009.db2.gz RHRRMMNNCLCLLB-UHFFFAOYSA-N 2 0 326.448 2.290 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594440897 468589433 /nfs/dbraw/zinc/58/94/33/468589433.db2.gz JDFNTOWTIFLPEZ-ZWKOTPCHSA-N 2 0 328.460 2.178 10 30 EEEERP C=CC[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662684005 472205994 /nfs/dbraw/zinc/20/59/94/472205994.db2.gz ABBHKUDFSRQCGO-ICSRJNTNSA-N 2 0 327.472 2.466 10 30 EEEERP C#CC1(O)CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000895379645 684562869 /nfs/dbraw/zinc/56/28/69/684562869.db2.gz MFBVVCLBDODTLY-UHFFFAOYSA-N 2 0 328.456 2.121 10 30 EEEERP CC[NH+]=C(NCCc1cc(F)ccc1F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262424591 685998439 /nfs/dbraw/zinc/99/84/39/685998439.db2.gz RLRHBXASTBPNPX-KRWDZBQOSA-N 2 0 348.441 2.419 10 30 EEEERP C#CCC[N@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001485665588 1191885309 /nfs/dbraw/zinc/88/53/09/1191885309.db2.gz QHNBFIIHFBOVFX-UHFFFAOYSA-N 2 0 331.504 2.200 10 30 EEEERP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001485670278 1191889793 /nfs/dbraw/zinc/88/97/93/1191889793.db2.gz PRGHGZAFZPEAEX-YSIASYRMSA-N 2 0 333.520 2.465 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cc(C#N)ccc1F ZINC001691339703 1177934452 /nfs/dbraw/zinc/93/44/52/1177934452.db2.gz KYWMUWBNBHYNON-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]Cc2ccccc2C)CC1 ZINC001267155496 1178339158 /nfs/dbraw/zinc/33/91/58/1178339158.db2.gz RJXWGCUBYYKYIJ-GOSISDBHSA-N 2 0 341.499 2.325 10 30 EEEERP C#CC[NH2+]CCC1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001267914889 1180755786 /nfs/dbraw/zinc/75/57/86/1180755786.db2.gz QHWBDDLWVBGYGL-UHFFFAOYSA-N 2 0 341.499 2.012 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001481461424 1181451095 /nfs/dbraw/zinc/45/10/95/1181451095.db2.gz CDXUWIXLHGFKCA-HXUWFJFHSA-N 2 0 341.499 2.207 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)C[C@@H](C)CC)C2)CC1 ZINC001481510348 1181599501 /nfs/dbraw/zinc/59/95/01/1181599501.db2.gz UUWIXTUEUVQMPS-ROUUACIJSA-N 2 0 333.520 2.158 10 30 EEEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2cnccc2OC)C1 ZINC001268171476 1181942811 /nfs/dbraw/zinc/94/28/11/1181942811.db2.gz OCZZZZZQWPVNHJ-JKSUJKDBSA-N 2 0 331.460 2.426 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)C1([NH+](C)C)CCC1 ZINC001268369079 1182356193 /nfs/dbraw/zinc/35/61/93/1182356193.db2.gz QTQQNGNFBMQNRP-OAHLLOKOSA-N 2 0 328.460 2.027 10 30 EEEERP CC#CC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@@H]1C ZINC001481963125 1183036867 /nfs/dbraw/zinc/03/68/67/1183036867.db2.gz SRUWKURMFSISFV-ICSRJNTNSA-N 2 0 333.520 2.396 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CCCCC)C2)CC1 ZINC001269356732 1184205023 /nfs/dbraw/zinc/20/50/23/1184205023.db2.gz UDEUWMZPQSINMB-IBGZPJMESA-N 2 0 333.520 2.445 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001270331665 1185024193 /nfs/dbraw/zinc/02/41/93/1185024193.db2.gz LGHDPZXTZGETFY-QLOJAFMTSA-N 2 0 345.531 2.443 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CCCC1 ZINC001270421305 1185091945 /nfs/dbraw/zinc/09/19/45/1185091945.db2.gz CZYMXPSXPRWRHD-GOSISDBHSA-N 2 0 333.520 2.396 10 30 EEEERP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)CCCCCC)CC2 ZINC001270864098 1185531503 /nfs/dbraw/zinc/53/15/03/1185531503.db2.gz PEGWQYXMVAGDHJ-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001271645048 1186355808 /nfs/dbraw/zinc/35/58/08/1186355808.db2.gz LQDWZYACWBGSHY-IAGOWNOFSA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](C[NH2+]CC(CC)CC)C2)CC1 ZINC001271713058 1186388465 /nfs/dbraw/zinc/38/84/65/1186388465.db2.gz XBOFTFKKRTYJGL-FXAWDEMLSA-N 2 0 347.547 2.452 10 30 EEEERP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@@H]21 ZINC001482663139 1187507092 /nfs/dbraw/zinc/50/70/92/1187507092.db2.gz OKAZWEXIUQHMGG-MOPGFXCFSA-N 2 0 333.520 2.445 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001691623466 1188323470 /nfs/dbraw/zinc/32/34/70/1188323470.db2.gz XVKWIEPSUQKPDA-FQEVSTJZSA-N 2 0 341.499 2.207 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC001486133401 1193690468 /nfs/dbraw/zinc/69/04/68/1193690468.db2.gz BUKIUBIQRVGZOL-YOEHRIQHSA-N 2 0 346.450 2.117 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001483793979 1191033273 /nfs/dbraw/zinc/03/32/73/1191033273.db2.gz BWZAPNIBDXYEKB-UHFFFAOYSA-N 2 0 347.890 2.270 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCCF)CC1 ZINC001483983810 1191141908 /nfs/dbraw/zinc/14/19/08/1191141908.db2.gz BTJKHPOPLBLYDH-GOSISDBHSA-N 2 0 337.483 2.145 10 30 EEEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001272690608 1191547000 /nfs/dbraw/zinc/54/70/00/1191547000.db2.gz BVIQSIRGJUKQIR-GPMSIDNRSA-N 2 0 327.472 2.317 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C(F)(F)F ZINC001486251788 1193779222 /nfs/dbraw/zinc/77/92/22/1193779222.db2.gz AEGBYRIOCCVUJC-KBPBESRZSA-N 2 0 335.414 2.131 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001486253165 1193780412 /nfs/dbraw/zinc/78/04/12/1193780412.db2.gz KMELZECLDUFNSW-GJZGRUSLSA-N 2 0 347.425 2.275 10 30 EEEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001486234967 1193787183 /nfs/dbraw/zinc/78/71/83/1193787183.db2.gz PFZOCKDTVROQJZ-ROUUACIJSA-N 2 0 331.504 2.243 10 30 EEEERP C#CCC[NH+]1CCC([C@H](C)NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001486450993 1193965927 /nfs/dbraw/zinc/96/59/27/1193965927.db2.gz RIOAZNSBDZWXOI-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001273286381 1197957040 /nfs/dbraw/zinc/95/70/40/1197957040.db2.gz SJFJMIWJQNKXKC-GOSISDBHSA-N 2 0 349.519 2.178 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)C(C)C ZINC000875087453 1199133415 /nfs/dbraw/zinc/13/34/15/1199133415.db2.gz MMLIEPPNKDPSCH-CEXWTWQISA-N 2 0 348.535 2.421 10 30 EEEERP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC001274863582 1205192135 /nfs/dbraw/zinc/19/21/35/1205192135.db2.gz YLRIFPLCLXHUBH-UHFFFAOYSA-N 2 0 349.519 2.130 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000928652963 1206407867 /nfs/dbraw/zinc/40/78/67/1206407867.db2.gz SNBBATBBZUUGMV-UHFFFAOYSA-N 2 0 327.472 2.356 10 30 EEEERP C[NH+]=C(NCc1ccon1)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000095974952 1215640655 /nfs/dbraw/zinc/64/06/55/1215640655.db2.gz JMNHYXFXVFPSGP-GOSISDBHSA-N 2 0 341.459 2.047 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000900660024 1234622320 /nfs/dbraw/zinc/62/23/20/1234622320.db2.gz RFQWTJLOSCDSBT-UHFFFAOYSA-N 2 0 345.487 2.285 10 30 EEEERP Cc1c(C[C@H](C[NH3+])C[NH2+]C(C)(C)c2cccc(C#N)c2)cnn1C ZINC000903932504 1242557114 /nfs/dbraw/zinc/55/71/14/1242557114.db2.gz CPXYVNOAHGWMKY-MRXNPFEDSA-N 2 0 325.460 2.243 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001491081043 1258646974 /nfs/dbraw/zinc/64/69/74/1258646974.db2.gz WDFIOQVEPQGSHH-HDICACEKSA-N 2 0 333.520 2.395 10 30 EEEERP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001491351234 1258992395 /nfs/dbraw/zinc/99/23/95/1258992395.db2.gz BRIXVKBEJUKSLZ-FAFZWHIHSA-N 2 0 331.504 2.434 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)C1CC2(C1)C[C@@H]([NH3+])CCO2)C(C)C ZINC001121990735 1310194421 /nfs/dbraw/zinc/19/44/21/1310194421.db2.gz HSFIXRWGKCKGHI-AGYKMIKPSA-N 2 0 349.519 2.088 10 30 EEEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001488760455 1290178192 /nfs/dbraw/zinc/17/81/92/1290178192.db2.gz ABPWTAKCTFNVPQ-SCTDSRPQSA-N 2 0 331.504 2.291 10 30 EEEERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852870816 1292223241 /nfs/dbraw/zinc/22/32/41/1292223241.db2.gz GSMKQRHEQFGMII-FXAWDEMLSA-N 2 0 339.483 2.016 10 30 EEEERP C=CCCCCC[NH2+][C@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001276813587 1298411139 /nfs/dbraw/zinc/41/11/39/1298411139.db2.gz PJIBJKMVCLTTSN-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP C=CCC[NH2+][C@H](CCNC(=O)[C@@H]1CCn2c(C)ncc2C1)C(C)C ZINC001277587175 1303947573 /nfs/dbraw/zinc/94/75/73/1303947573.db2.gz LEFARJOXBXYRKZ-SJLPKXTDSA-N 2 0 332.492 2.451 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001278404354 1310079110 /nfs/dbraw/zinc/07/91/10/1310079110.db2.gz NEVOUWRTMFSWAJ-APWZRJJASA-N 2 0 327.472 2.007 10 30 EEEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001278498467 1310828527 /nfs/dbraw/zinc/82/85/27/1310828527.db2.gz LFGKUYVDUVWCOU-RXVVDRJESA-N 2 0 345.531 2.493 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001278516178 1317082998 /nfs/dbraw/zinc/08/29/98/1317082998.db2.gz OWXVSTVIPFWKFR-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP CC#CC[NH2+][C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC1(C)C ZINC001278656371 1317569844 /nfs/dbraw/zinc/56/98/44/1317569844.db2.gz KQPXIWLLFNGFBX-IBGZPJMESA-N 2 0 341.499 2.254 10 30 EEEERP C#CC[NH2+][C@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1(C)C ZINC001278685159 1317707697 /nfs/dbraw/zinc/70/76/97/1317707697.db2.gz SXPXJTLLPRSUKI-ROUUACIJSA-N 2 0 327.472 2.139 10 30 EEEERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccc(C#N)cc1 ZINC001265114555 1322927245 /nfs/dbraw/zinc/92/72/45/1322927245.db2.gz FAZAMPHEXFGTCR-VQIMIIECSA-N 2 0 342.487 2.227 10 30 EEEERP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001265340401 1323086877 /nfs/dbraw/zinc/08/68/77/1323086877.db2.gz QDYMRYDGDVINTI-SFHVURJKSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]C[C@@H](F)CC)CC2)CC1 ZINC001265744663 1323361502 /nfs/dbraw/zinc/36/15/02/1323361502.db2.gz QMGORGANZJHORG-AOCRQIFASA-N 2 0 337.483 2.097 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001280309241 1324153344 /nfs/dbraw/zinc/15/33/44/1324153344.db2.gz ZVEXLFWLMMRVEX-RBUKOAKNSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001280357405 1324171193 /nfs/dbraw/zinc/17/11/93/1324171193.db2.gz YUCREZSKSXHSID-QGZVFWFLSA-N 2 0 327.472 2.463 10 30 EEEERP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001281840110 1325483695 /nfs/dbraw/zinc/48/36/95/1325483695.db2.gz JUPXAOPGIHDHCF-LJQANCHMSA-N 2 0 333.520 2.302 10 30 EEEERP CN(CC(C)(C)C[NH2+]CC#Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001282335596 1325694640 /nfs/dbraw/zinc/69/46/40/1325694640.db2.gz PVUOKKHBDARYFD-IBGZPJMESA-N 2 0 341.499 2.064 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]21 ZINC001284095206 1326404314 /nfs/dbraw/zinc/40/43/14/1326404314.db2.gz DQRYCSPQQMLUGW-KZNAEPCWSA-N 2 0 333.520 2.204 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001284737413 1326689838 /nfs/dbraw/zinc/68/98/38/1326689838.db2.gz LEZZWTIOVSLEOS-LSDHHAIUSA-N 2 0 347.425 2.417 10 30 EEEERP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001316641366 1327163557 /nfs/dbraw/zinc/16/35/57/1327163557.db2.gz CWNQLZYEOPJOGJ-GBESFXJTSA-N 2 0 347.478 2.437 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001317156493 1332103736 /nfs/dbraw/zinc/10/37/36/1332103736.db2.gz YACQGJMUBDWTBX-OAHLLOKOSA-N 2 0 333.501 2.275 10 30 EEEERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001317262351 1332157264 /nfs/dbraw/zinc/15/72/64/1332157264.db2.gz CEIHIKJKZMNIBD-HKUYNNGSSA-N 2 0 329.488 2.253 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001317295413 1332168055 /nfs/dbraw/zinc/16/80/55/1332168055.db2.gz XUCDFKUBLYLRMQ-QGZVFWFLSA-N 2 0 331.504 2.316 10 30 EEEERP C=C(Br)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001317624831 1332334156 /nfs/dbraw/zinc/33/41/56/1332334156.db2.gz XDVZBAXQVXXYHJ-AWEZNQCLSA-N 2 0 346.313 2.065 10 30 EEEERP CC[C@H](C(=O)N[C@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001318727327 1332583902 /nfs/dbraw/zinc/58/39/02/1332583902.db2.gz DMUHDQDVNQJKHS-TZIWHRDSSA-N 2 0 341.499 2.253 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001325453965 1333889417 /nfs/dbraw/zinc/88/94/17/1333889417.db2.gz COHCAYHCEPQPRG-AZUAARDMSA-N 2 0 341.499 2.207 10 30 EEEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001326467125 1334099311 /nfs/dbraw/zinc/09/93/11/1334099311.db2.gz FJSQZIKVQUMJHE-FRQCXROJSA-N 2 0 327.472 2.317 10 30 EEEERP C#CC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C2)CC1 ZINC001326603272 1334123204 /nfs/dbraw/zinc/12/32/04/1334123204.db2.gz JLWVTQMLDAPRIF-LJQANCHMSA-N 2 0 339.483 2.237 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001328734008 1334510337 /nfs/dbraw/zinc/51/03/37/1334510337.db2.gz URGLDPPYDLJOMS-MOPGFXCFSA-N 2 0 331.504 2.340 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@H]1C ZINC001331944457 1335683426 /nfs/dbraw/zinc/68/34/26/1335683426.db2.gz QLZJGQRAOIEHLD-VQIMIIECSA-N 2 0 345.462 2.096 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001668214023 1355900995 /nfs/dbraw/zinc/90/09/95/1355900995.db2.gz HMHXOLVVWGKALA-XJKSGUPXSA-N 2 0 333.879 2.436 10 30 EEEERP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001566879542 1342646997 /nfs/dbraw/zinc/64/69/97/1342646997.db2.gz OPZQFFILMOUZAE-HKUYNNGSSA-N 2 0 327.472 2.141 10 30 EEEERP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001566991154 1342674643 /nfs/dbraw/zinc/67/46/43/1342674643.db2.gz KGMVAMXZSMCBJO-UHFFFAOYSA-N 2 0 341.499 2.397 10 30 EEEERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001567571079 1342785845 /nfs/dbraw/zinc/78/58/45/1342785845.db2.gz NCNGYBFGJOVUIE-LJQANCHMSA-N 2 0 342.487 2.369 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCCCC)C[C@@H]2C)CC1 ZINC001676782457 1357199369 /nfs/dbraw/zinc/19/93/69/1357199369.db2.gz HGUDYGVVNKWRIZ-PKOBYXMFSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)c(F)c1 ZINC001677642481 1357381476 /nfs/dbraw/zinc/38/14/76/1357381476.db2.gz CBNXMRHBEUTFQK-PKOBYXMFSA-N 2 0 343.446 2.182 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001649444912 1353509092 /nfs/dbraw/zinc/50/90/92/1353509092.db2.gz RSRWEDOAZDKJNU-GOSISDBHSA-N 2 0 327.472 2.331 10 30 EEEERP C[C@H](CC(=O)NCCC[N@H+](C)Cc1ccccc1C#N)n1ccnc1 ZINC001660318389 1354438490 /nfs/dbraw/zinc/43/84/90/1354438490.db2.gz UYSOMXIOPQGBKL-MRXNPFEDSA-N 2 0 339.443 2.344 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001671862730 1356426419 /nfs/dbraw/zinc/42/64/19/1356426419.db2.gz GYFUTEMQHDJOMY-ZWKOTPCHSA-N 2 0 333.520 2.348 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC#Cc1ccccc1 ZINC001672530955 1356546551 /nfs/dbraw/zinc/54/65/51/1356546551.db2.gz OPFLSYJJADWMOB-WOJBJXKFSA-N 2 0 339.483 2.055 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](CC(=C)C)CC2CC2)CC1 ZINC001699687872 1405441886 /nfs/dbraw/zinc/44/18/86/1405441886.db2.gz KJZMMPSZSNUGQV-FQEVSTJZSA-N 2 0 343.515 2.363 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941074692 779793475 /nfs/dbraw/zinc/79/34/75/779793475.db2.gz FFLYLHJIQJPQGE-ROUUACIJSA-N 2 0 333.520 2.489 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001565995448 1125492307 /nfs/dbraw/zinc/49/23/07/1125492307.db2.gz RRUXROKMLXNJDR-RLLQIKCJSA-N 2 0 345.531 2.491 10 30 EEEERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001436420021 1087780117 /nfs/dbraw/zinc/78/01/17/1087780117.db2.gz CMULTFKFIRTQIE-QFBILLFUSA-N 2 0 342.487 2.275 10 30 EEEERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001437212969 1089291551 /nfs/dbraw/zinc/29/15/51/1089291551.db2.gz IAUAAKBDSWXACN-GJZGRUSLSA-N 2 0 348.516 2.479 10 30 EEEERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001441858972 1095958207 /nfs/dbraw/zinc/95/82/07/1095958207.db2.gz JSWODMZVJCHGLY-PBHICJAKSA-N 2 0 346.450 2.166 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001444183194 1098735858 /nfs/dbraw/zinc/73/58/58/1098735858.db2.gz BVDILFPKYODENG-HDJSIYSDSA-N 2 0 334.489 2.088 10 30 EEEERP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001479741489 1098862379 /nfs/dbraw/zinc/86/23/79/1098862379.db2.gz UCGZUDONOCQONM-UHFFFAOYSA-N 2 0 348.516 2.178 10 30 EEEERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001480521793 1100351166 /nfs/dbraw/zinc/35/11/66/1100351166.db2.gz LFHISYHWFFOKRC-LPHOPBHVSA-N 2 0 342.487 2.275 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001494018342 1103354525 /nfs/dbraw/zinc/35/45/25/1103354525.db2.gz LPCHAFVEKHRGAP-HZPDHXFCSA-N 2 0 327.900 2.442 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001494984686 1104629813 /nfs/dbraw/zinc/62/98/13/1104629813.db2.gz JYBNTQBZVBKDJI-RBUKOAKNSA-N 2 0 342.487 2.415 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001480598212 1106738275 /nfs/dbraw/zinc/73/82/75/1106738275.db2.gz ZGWRJBVTDAOMGU-HNNXBMFYSA-N 2 0 335.879 2.126 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCC=C)C2)CC1 ZINC001480709878 1106931177 /nfs/dbraw/zinc/93/11/77/1106931177.db2.gz MUORRGFECTVZHE-RBUKOAKNSA-N 2 0 331.504 2.315 10 30 EEEERP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC#Cc1ccccc1 ZINC001480769758 1107081342 /nfs/dbraw/zinc/08/13/42/1107081342.db2.gz BYMILYOWUNMHMZ-QGZVFWFLSA-N 2 0 327.472 2.007 10 30 EEEERP CN(CCC[NH2+]Cc1ccccc1C#N)C(=O)CC[NH+]1CCCCC1 ZINC001498656892 1107907911 /nfs/dbraw/zinc/90/79/11/1107907911.db2.gz DOTVNAWETBLVJA-UHFFFAOYSA-N 2 0 342.487 2.372 10 30 EEEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001498824304 1108172238 /nfs/dbraw/zinc/17/22/38/1108172238.db2.gz BRBULVPJDDMYEE-HSALFYBXSA-N 2 0 341.499 2.392 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](CCCC)CC1 ZINC001500048188 1112592162 /nfs/dbraw/zinc/59/21/62/1112592162.db2.gz CNLLJYIPDCLTKW-ROUUACIJSA-N 2 0 333.520 2.443 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001501617959 1113401581 /nfs/dbraw/zinc/40/15/81/1113401581.db2.gz HCITWGBEKDEJCD-IBGZPJMESA-N 2 0 341.499 2.256 10 30 EEEERP C#CC[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC001506523691 1114672699 /nfs/dbraw/zinc/67/26/99/1114672699.db2.gz KXQOIVWQZKOLSA-UHFFFAOYSA-N 2 0 327.472 2.404 10 30 EEEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001506548515 1114690424 /nfs/dbraw/zinc/69/04/24/1114690424.db2.gz JKPNVRJBDXXOQC-YJBOKZPZSA-N 2 0 325.472 2.097 10 30 EEEERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001506992255 1115037394 /nfs/dbraw/zinc/03/73/94/1115037394.db2.gz COWQSAPWUTVMAV-RBUKOAKNSA-N 2 0 342.487 2.130 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)C[NH+]1CCCC1 ZINC001568797543 1124811651 /nfs/dbraw/zinc/81/16/51/1124811651.db2.gz HPJNASNBVJSEOM-UHFFFAOYSA-N 2 0 347.890 2.225 10 30 EEEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568919906 1124947013 /nfs/dbraw/zinc/94/70/13/1124947013.db2.gz LAIIQHUJSLLVMA-KJPDOMRESA-N 2 0 331.863 2.213 10 30 EEEERP OCC[C@H]1CCCCC[N@@H+]1CC#CC[NH+]1CCCCC[C@H]1CCO ZINC000342055040 539830973 /nfs/dbraw/zinc/83/09/73/539830973.db2.gz YEPOSCIYXGKHRD-BGYRXZFFSA-N 2 0 336.520 2.244 10 30 EEEERP C[C@@H]1C[C@H](NC(=O)C2CCN(Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000329456877 465340271 /nfs/dbraw/zinc/34/02/71/465340271.db2.gz QGBWZMWPSSIQSQ-GDBMZVCRSA-N 2 0 333.480 2.071 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000594441289 468588677 /nfs/dbraw/zinc/58/86/77/468588677.db2.gz QNISHEXNUHMVBE-MSOLQXFVSA-N 2 0 328.460 2.351 10 30 EEEERP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594443304 468590195 /nfs/dbraw/zinc/59/01/95/468590195.db2.gz CNDPIEAQXVWDJZ-ROUUACIJSA-N 2 0 328.460 2.133 10 30 EEEERP CC[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000262809201 688511999 /nfs/dbraw/zinc/51/19/99/688511999.db2.gz TUPHRXWRUHQQKS-IPQPSQTFSA-N 3 0 349.567 2.431 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001772514881 1176504620 /nfs/dbraw/zinc/50/46/20/1176504620.db2.gz DWWDWDLHGXZOLL-MSOLQXFVSA-N 2 0 331.504 2.102 10 30 EEEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266431158 1176526118 /nfs/dbraw/zinc/52/61/18/1176526118.db2.gz LDXKHCINMNDHJH-QYZOEREBSA-N 2 0 327.472 2.002 10 30 EEEERP C#CCC[N@@H+](C)CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001692030403 1177735459 /nfs/dbraw/zinc/73/54/59/1177735459.db2.gz PJQJJWZEIJCSTQ-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC=C(C)C)C2)CC1 ZINC001267093661 1178225374 /nfs/dbraw/zinc/22/53/74/1178225374.db2.gz MXNHBHDSABFDDU-RBUKOAKNSA-N 2 0 331.504 2.315 10 30 EEEERP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC#Cc1ccccc1 ZINC001267133377 1178304360 /nfs/dbraw/zinc/30/43/60/1178304360.db2.gz FLMJRNNACGCEAZ-SFHVURJKSA-N 2 0 339.483 2.151 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C(F)(F)F ZINC001691446356 1178831287 /nfs/dbraw/zinc/83/12/87/1178831287.db2.gz VINNCPUNKQFMQK-KBPBESRZSA-N 2 0 347.425 2.131 10 30 EEEERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001267498996 1179187467 /nfs/dbraw/zinc/18/74/67/1179187467.db2.gz GZTIALMLFDJJAF-KRWDZBQOSA-N 2 0 348.516 2.431 10 30 EEEERP C=CCOCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001268171024 1181936674 /nfs/dbraw/zinc/93/66/74/1181936674.db2.gz KSNXRBNBINFNTP-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001268181311 1181965606 /nfs/dbraw/zinc/96/56/06/1181965606.db2.gz WLMJJIXZFOUGJM-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)Cc1ccccc1 ZINC001268198407 1181992772 /nfs/dbraw/zinc/99/27/72/1181992772.db2.gz QRRSSBROQKFIFY-UYAOXDASSA-N 2 0 341.499 2.358 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001268282184 1182151063 /nfs/dbraw/zinc/15/10/63/1182151063.db2.gz FEAHGZQNNRAGDR-ROUUACIJSA-N 2 0 333.520 2.396 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CCC[NH+]1CCCC1 ZINC001268673039 1183598633 /nfs/dbraw/zinc/59/86/33/1183598633.db2.gz AAFRKIHSFIBGOL-QGZVFWFLSA-N 2 0 345.462 2.148 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268695322 1183617342 /nfs/dbraw/zinc/61/73/42/1183617342.db2.gz ZQQSOQHDEIIGES-AZUAARDMSA-N 2 0 341.499 2.253 10 30 EEEERP CC(C)[C@H](C(=O)NCC1([NH2+]CC#Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC001269484696 1184304719 /nfs/dbraw/zinc/30/47/19/1184304719.db2.gz PVNVSMMNICTZJA-GOSISDBHSA-N 2 0 345.462 2.002 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001269797881 1184626344 /nfs/dbraw/zinc/62/63/44/1184626344.db2.gz DTKNZZBDORXJAG-RTBURBONSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001269958733 1184744239 /nfs/dbraw/zinc/74/42/39/1184744239.db2.gz JAUOQABFXIOFTI-PXNSSMCTSA-N 2 0 341.499 2.397 10 30 EEEERP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001271771968 1186473615 /nfs/dbraw/zinc/47/36/15/1186473615.db2.gz FFJHJWCBZIGDPE-LJQANCHMSA-N 2 0 333.520 2.465 10 30 EEEERP CC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@H]21 ZINC001482663143 1187506977 /nfs/dbraw/zinc/50/69/77/1187506977.db2.gz OKAZWEXIUQHMGG-RBUKOAKNSA-N 2 0 333.520 2.445 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001482970243 1187910880 /nfs/dbraw/zinc/91/08/80/1187910880.db2.gz PXPCGTXHYKRSMR-CALCHBBNSA-N 2 0 342.487 2.369 10 30 EEEERP CC#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001670985517 1193538936 /nfs/dbraw/zinc/53/89/36/1193538936.db2.gz SYCFJVHWQCIMHW-VQTJNVASSA-N 2 0 345.531 2.443 10 30 EEEERP C[NH+](C)CCCC(=O)NC/C=C/C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001483054124 1188311144 /nfs/dbraw/zinc/31/11/44/1188311144.db2.gz KTDLNXDOMXYBTM-ONEGZZNKSA-N 2 0 347.890 2.295 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483172540 1189024828 /nfs/dbraw/zinc/02/48/28/1189024828.db2.gz RGHKWQUUSSERLL-RTBURBONSA-N 2 0 341.499 2.397 10 30 EEEERP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001483978721 1191139544 /nfs/dbraw/zinc/13/95/44/1191139544.db2.gz FBWASQAWFFNVPJ-SFHVURJKSA-N 2 0 349.519 2.036 10 30 EEEERP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001484554471 1191412848 /nfs/dbraw/zinc/41/28/48/1191412848.db2.gz WUSDFJNXEQFQAT-IBGZPJMESA-N 2 0 327.472 2.242 10 30 EEEERP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001485044374 1191624295 /nfs/dbraw/zinc/62/42/95/1191624295.db2.gz YCHMKEQKUVXHBL-RTBURBONSA-N 2 0 337.467 2.010 10 30 EEEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001273276683 1197945248 /nfs/dbraw/zinc/94/52/48/1197945248.db2.gz KXECPXHTGOQWFL-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000872223802 1198097039 /nfs/dbraw/zinc/09/70/39/1198097039.db2.gz YDCOGBCFMBNIJO-GOSISDBHSA-N 2 0 337.508 2.158 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)C[N@H+](C)C1CCC1 ZINC001273428642 1198812051 /nfs/dbraw/zinc/81/20/51/1198812051.db2.gz WYGNFJIUACNHOH-UHFFFAOYSA-N 2 0 345.462 2.100 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001275038590 1205241695 /nfs/dbraw/zinc/24/16/95/1205241695.db2.gz LQUZLVDINXZWNC-HZPDHXFCSA-N 2 0 345.462 2.326 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)CCCC[NH+]1CCCC1 ZINC001275045320 1205242200 /nfs/dbraw/zinc/24/22/00/1205242200.db2.gz GXHOEYCLKSIODK-LJQANCHMSA-N 2 0 341.499 2.399 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001275571893 1205422638 /nfs/dbraw/zinc/42/26/38/1205422638.db2.gz RYDJEMMMGMQERS-HOTGVXAUSA-N 2 0 333.451 2.000 10 30 EEEERP CC#CC[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001275608905 1205442191 /nfs/dbraw/zinc/44/21/91/1205442191.db2.gz HYTSIIWBUHQOHK-UHFFFAOYSA-N 2 0 331.504 2.245 10 30 EEEERP CC1(C)[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925610018 1206135448 /nfs/dbraw/zinc/13/54/48/1206135448.db2.gz YCGZCBFZQRADOI-NZSAHSFTSA-N 2 0 339.487 2.288 10 30 EEEERP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925855459 1206161809 /nfs/dbraw/zinc/16/18/09/1206161809.db2.gz PHOQEENMVJADOJ-MAUKXSAKSA-N 2 0 342.439 2.035 10 30 EEEERP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC[C@H]2CCCO2)[C@H]1c1cccs1 ZINC000246695459 1213005131 /nfs/dbraw/zinc/00/51/31/1213005131.db2.gz ZAXDCZXMMUHXJA-FMKPAKJESA-N 2 0 336.505 2.214 10 30 EEEERP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001273569817 1280021055 /nfs/dbraw/zinc/02/10/55/1280021055.db2.gz XQIRXWZKGVQFEI-LPHOPBHVSA-N 2 0 342.487 2.227 10 30 EEEERP C=C(Br)C[NH2+]CCN(CC)C(=O)CC1CC[NH+](C)CC1 ZINC001273646843 1282163059 /nfs/dbraw/zinc/16/30/59/1282163059.db2.gz YCDFCRVKEYLLCH-UHFFFAOYSA-N 2 0 346.313 2.065 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489349862 1290534984 /nfs/dbraw/zinc/53/49/84/1290534984.db2.gz LYIVGNPLRXOZJA-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C[N@@H+]1CCC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000852869643 1292222120 /nfs/dbraw/zinc/22/21/20/1292222120.db2.gz DBTWSEBKGXNRMN-LPHOPBHVSA-N 2 0 345.512 2.250 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001265446609 1323160086 /nfs/dbraw/zinc/16/00/86/1323160086.db2.gz LBHNSJGYVYZOCR-ZCNNSNEGSA-N 2 0 341.499 2.489 10 30 EEEERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001265502898 1323185438 /nfs/dbraw/zinc/18/54/38/1323185438.db2.gz CAOHRESBHFNGGG-QAQDUYKDSA-N 2 0 346.450 2.166 10 30 EEEERP CC[C@H](C(=O)NC1CCC([NH2+]CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001265735940 1323356131 /nfs/dbraw/zinc/35/61/31/1323356131.db2.gz AJCWVPBWXVFWHQ-SOAGJPPSSA-N 2 0 341.499 2.395 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001266067766 1323622125 /nfs/dbraw/zinc/62/21/25/1323622125.db2.gz NKGGVAWKIYUPNL-WOJBJXKFSA-N 2 0 341.499 2.445 10 30 EEEERP CC#CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1(C)C ZINC001284310780 1326499185 /nfs/dbraw/zinc/49/91/85/1326499185.db2.gz TXGOAEYALSMLQA-QGZVFWFLSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001491585399 1330174057 /nfs/dbraw/zinc/17/40/57/1330174057.db2.gz NXKCOGZAXGGCSY-QRQLOZEOSA-N 2 0 329.488 2.392 10 30 EEEERP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001316808815 1331905353 /nfs/dbraw/zinc/90/53/53/1331905353.db2.gz GVXGRSQVIAJZQV-ZIAGYGMSSA-N 2 0 348.516 2.034 10 30 EEEERP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001317050615 1332060892 /nfs/dbraw/zinc/06/08/92/1332060892.db2.gz JVYOWAXGGKYJCH-KDURUIRLSA-N 2 0 331.504 2.340 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317343205 1332187474 /nfs/dbraw/zinc/18/74/74/1332187474.db2.gz KCZXDEZTTLQDEY-PKOBYXMFSA-N 2 0 327.472 2.141 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCCCCC)C2)CC1 ZINC001317345610 1332188087 /nfs/dbraw/zinc/18/80/87/1332188087.db2.gz DLCKZUCRWMPUQY-GOSISDBHSA-N 2 0 333.520 2.350 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001317840992 1332427708 /nfs/dbraw/zinc/42/77/08/1332427708.db2.gz YPGSIFUKURXHCH-HKUYNNGSSA-N 2 0 331.504 2.197 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001318999906 1332635066 /nfs/dbraw/zinc/63/50/66/1332635066.db2.gz GMVOJYOFDKXCFU-UXHICEINSA-N 2 0 339.483 2.433 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001324087917 1333606059 /nfs/dbraw/zinc/60/60/59/1333606059.db2.gz KATHNJZMGHARHV-APWZRJJASA-N 2 0 327.472 2.354 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001332149329 1335744526 /nfs/dbraw/zinc/74/45/26/1335744526.db2.gz UGLTWZFYBOAOLM-GBESFXJTSA-N 2 0 331.504 2.102 10 30 EEEERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567028321 1342683631 /nfs/dbraw/zinc/68/36/31/1342683631.db2.gz KICVFZBZNGDUNZ-CRAIPNDOSA-N 2 0 347.890 2.270 10 30 EEEERP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001567150717 1342702295 /nfs/dbraw/zinc/70/22/95/1342702295.db2.gz IIJOXDXNBZDCPO-HXUWFJFHSA-N 2 0 341.499 2.208 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676018866 1357090611 /nfs/dbraw/zinc/09/06/11/1357090611.db2.gz VASZGCRGNKFFLU-YOEHRIQHSA-N 2 0 346.450 2.024 10 30 EEEERP C#CCN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001569595619 1342905159 /nfs/dbraw/zinc/90/51/59/1342905159.db2.gz VYYNZFRNAASGAT-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001569706165 1342927613 /nfs/dbraw/zinc/92/76/13/1342927613.db2.gz BMCFGEVYQLYMPW-ROUUACIJSA-N 2 0 331.504 2.245 10 30 EEEERP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC001571065141 1343159515 /nfs/dbraw/zinc/15/95/15/1343159515.db2.gz ZYVJAQWHDPYWGJ-BGYRXZFFSA-N 2 0 333.520 2.465 10 30 EEEERP CC[C@@H](C(=O)NCCC[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001660368967 1354450280 /nfs/dbraw/zinc/45/02/80/1354450280.db2.gz OKWZOZCQTWAVRU-SFHVURJKSA-N 2 0 349.906 2.470 10 30 EEEERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001661678014 1354671639 /nfs/dbraw/zinc/67/16/39/1354671639.db2.gz CULBPTLEJWKUGC-OKILXGFUSA-N 2 0 334.489 2.088 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001661996686 1354739011 /nfs/dbraw/zinc/73/90/11/1354739011.db2.gz OVXSLHSOEBVMCC-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001664309168 1355135069 /nfs/dbraw/zinc/13/50/69/1355135069.db2.gz HXCYFYCPZSSBEP-RBUKOAKNSA-N 2 0 342.487 2.227 10 30 EEEERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001665839353 1355398183 /nfs/dbraw/zinc/39/81/83/1355398183.db2.gz NUYCKRIFAZLECQ-INIZCTEOSA-N 2 0 335.879 2.128 10 30 EEEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001667107775 1355649075 /nfs/dbraw/zinc/64/90/75/1355649075.db2.gz HGGNAGXHVWNODM-VQIMIIECSA-N 2 0 339.499 2.343 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001667181765 1355666229 /nfs/dbraw/zinc/66/62/29/1355666229.db2.gz AYWWFAMOXPIEPX-SJLPKXTDSA-N 2 0 333.520 2.489 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668309109 1355920168 /nfs/dbraw/zinc/92/01/68/1355920168.db2.gz DIUNYWNPKNNRGX-RDJZCZTQSA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]Cc2ccccc2F)CC1 ZINC001668319846 1355922859 /nfs/dbraw/zinc/92/28/59/1355922859.db2.gz LRWVSWPYZWEVBO-INIZCTEOSA-N 2 0 345.462 2.155 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001669481912 1356164465 /nfs/dbraw/zinc/16/44/65/1356164465.db2.gz BAKZCAVQWJMNBA-QGZVFWFLSA-N 2 0 345.531 2.396 10 30 EEEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001671491989 1356349669 /nfs/dbraw/zinc/34/96/69/1356349669.db2.gz NJCXOBZTKMUNMU-WBVHZDCISA-N 2 0 325.472 2.001 10 30 EEEERP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001671597990 1356369668 /nfs/dbraw/zinc/36/96/68/1356369668.db2.gz FCNYBCOJLSWGMG-FQEVSTJZSA-N 2 0 333.520 2.446 10 30 EEEERP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](C/C=C/Cl)CC1 ZINC001699785457 1405483658 /nfs/dbraw/zinc/48/36/58/1405483658.db2.gz PFNPNUGMCCDFAW-UXBLZVDNSA-N 2 0 325.884 2.007 10 30 EEEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001566025073 1125502964 /nfs/dbraw/zinc/50/29/64/1125502964.db2.gz DSOHSPMZIPWFRF-IPMKNSEASA-N 2 0 327.472 2.282 10 30 EEEERP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001566132022 1125583995 /nfs/dbraw/zinc/58/39/95/1125583995.db2.gz UUNFOSFEQAFAQZ-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C[NH+](C)CCCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001436415140 1087769619 /nfs/dbraw/zinc/76/96/19/1087769619.db2.gz IZSKKZRTNUWBLB-RBUKOAKNSA-N 2 0 342.487 2.275 10 30 EEEERP C[C@H]([NH2+]Cc1ccccc1C#N)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436677553 1088125594 /nfs/dbraw/zinc/12/55/94/1088125594.db2.gz ZTXWJBRIAUCPPL-QFBILLFUSA-N 2 0 342.487 2.369 10 30 EEEERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC001436795046 1088362807 /nfs/dbraw/zinc/36/28/07/1088362807.db2.gz GZPOYIVQYTYBEM-RBUKOAKNSA-N 2 0 340.471 2.027 10 30 EEEERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001437212971 1089293017 /nfs/dbraw/zinc/29/30/17/1089293017.db2.gz IAUAAKBDSWXACN-HUUCEWRRSA-N 2 0 348.516 2.479 10 30 EEEERP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001438310933 1090788719 /nfs/dbraw/zinc/78/87/19/1090788719.db2.gz NCTSQWADWLEMBX-MOPGFXCFSA-N 2 0 342.487 2.417 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001438830925 1091451351 /nfs/dbraw/zinc/45/13/51/1091451351.db2.gz AHEKEOLINPATRL-VQIMIIECSA-N 2 0 342.487 2.130 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001439465966 1092250631 /nfs/dbraw/zinc/25/06/31/1092250631.db2.gz GYGIGBMPHQCDKY-CVEARBPZSA-N 2 0 327.900 2.344 10 30 EEEERP C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440840190 1094093627 /nfs/dbraw/zinc/09/36/27/1094093627.db2.gz YNJLYZWWHJFUCS-CVEARBPZSA-N 2 0 342.487 2.415 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001440986667 1094251280 /nfs/dbraw/zinc/25/12/80/1094251280.db2.gz GJIHKEKHQQVBSU-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP C=C(Cl)C[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001441341583 1094840119 /nfs/dbraw/zinc/84/01/19/1094840119.db2.gz PTWDPCLZRYWBKA-XHSDSOJGSA-N 2 0 327.900 2.297 10 30 EEEERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001441420145 1095005917 /nfs/dbraw/zinc/00/59/17/1095005917.db2.gz QWIVWWUEKUHZSW-IYARVYRRSA-N 2 0 346.450 2.166 10 30 EEEERP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001479597606 1098625338 /nfs/dbraw/zinc/62/53/38/1098625338.db2.gz PBYQOPHCKCKBOK-GUDVDZBRSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)CC2CC(C)C2)CC1 ZINC001479861347 1099174244 /nfs/dbraw/zinc/17/42/44/1099174244.db2.gz ODRPIWYCLUTRLO-UHFFFAOYSA-N 2 0 333.520 2.206 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@@H+]1C ZINC001480463739 1100269281 /nfs/dbraw/zinc/26/92/81/1100269281.db2.gz HBONPILLANVACC-RPVQJOFSSA-N 2 0 346.450 2.022 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001496443247 1101033730 /nfs/dbraw/zinc/03/37/30/1101033730.db2.gz GFKLUBAGKDZNSK-DOTOQJQBSA-N 2 0 338.455 2.496 10 30 EEEERP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001496627102 1101230819 /nfs/dbraw/zinc/23/08/19/1101230819.db2.gz ISVMOUVSPSDBOS-OALUTQOASA-N 2 0 342.487 2.130 10 30 EEEERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001495684890 1101435010 /nfs/dbraw/zinc/43/50/10/1101435010.db2.gz YCELZKPKLBDVQE-LPHOPBHVSA-N 2 0 342.487 2.275 10 30 EEEERP CCC[N@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480805083 1107148055 /nfs/dbraw/zinc/14/80/55/1107148055.db2.gz DUORSGQMIBCTFY-INIZCTEOSA-N 2 0 333.451 2.003 10 30 EEEERP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001479426767 1110695114 /nfs/dbraw/zinc/69/51/14/1110695114.db2.gz ZTXMNWPMBPHOCZ-VQTJNVASSA-N 2 0 339.483 2.078 10 30 EEEERP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC2)C1 ZINC001499477970 1112307535 /nfs/dbraw/zinc/30/75/35/1112307535.db2.gz KXVZQDBYIIHIRA-MSOLQXFVSA-N 2 0 339.499 2.413 10 30 EEEERP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001500160733 1112647837 /nfs/dbraw/zinc/64/78/37/1112647837.db2.gz CEHQWUREQCBSEM-FQEVSTJZSA-N 2 0 333.520 2.446 10 30 EEEERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001505682109 1114128641 /nfs/dbraw/zinc/12/86/41/1114128641.db2.gz QOJBJATVYBMTMS-UONOGXRCSA-N 2 0 346.450 2.022 10 30 EEEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001505833247 1114221621 /nfs/dbraw/zinc/22/16/21/1114221621.db2.gz AHSNWDSZLWKEEM-LJQANCHMSA-N 2 0 339.499 2.296 10 30 EEEERP CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001507036328 1115072846 /nfs/dbraw/zinc/07/28/46/1115072846.db2.gz VZYJSENWDKSCAW-PMACEKPBSA-N 2 0 341.499 2.205 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001507427837 1115263101 /nfs/dbraw/zinc/26/31/01/1115263101.db2.gz LSTYDAMPYNFUIS-HUUCEWRRSA-N 2 0 348.516 2.334 10 30 EEEERP C=C(C[NH+](C)C)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001540625561 1124088020 /nfs/dbraw/zinc/08/80/20/1124088020.db2.gz XJSPEEGRRPUCEM-UHFFFAOYSA-N 2 0 327.472 2.154 10 30 EEEERP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001568437623 1124506078 /nfs/dbraw/zinc/50/60/78/1124506078.db2.gz BTZANNZUYLRXAE-RBUKOAKNSA-N 2 0 331.504 2.197 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1Cl ZINC001568826760 1124844566 /nfs/dbraw/zinc/84/45/66/1124844566.db2.gz HQQFLBAXBVBSFU-WRFKIARRSA-N 2 0 345.874 2.048 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569169845 1125142198 /nfs/dbraw/zinc/14/21/98/1125142198.db2.gz OVLODHTTWMNTNK-RBUKOAKNSA-N 2 0 331.504 2.006 10 30 EEEERP CN(CCC[NH2+]Cc1ccc(C#N)s1)C(=O)CC[NH+]1CCCCC1 ZINC001569269452 1125208435 /nfs/dbraw/zinc/20/84/35/1125208435.db2.gz WNTHPIXTUFVSME-UHFFFAOYSA-N 2 0 348.516 2.434 10 30 EEEERP Cc1cn2c(n1)[C@@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000328659890 465092481 /nfs/dbraw/zinc/09/24/81/465092481.db2.gz UJDLHDUISMVNEQ-OAGGEKHMSA-N 2 0 331.464 2.151 10 30 EEEERP C[C@H](CO)[NH+](CC#CC[N@@H+]([C@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347179016 466455613 /nfs/dbraw/zinc/45/56/13/466455613.db2.gz ZIMWHXLJCFBHEA-QZTJIDSGSA-N 2 0 336.520 2.241 10 30 EEEERP CC[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000413674280 467290403 /nfs/dbraw/zinc/29/04/03/467290403.db2.gz CIORMZUNCADJHV-KRWDZBQOSA-N 2 0 328.460 2.001 10 30 EEEERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438653 468587390 /nfs/dbraw/zinc/58/73/90/468587390.db2.gz PHLPYIJAQNJHMS-NZSAHSFTSA-N 2 0 342.487 2.424 10 30 EEEERP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594443302 468590081 /nfs/dbraw/zinc/59/00/81/468590081.db2.gz CNDPIEAQXVWDJZ-MSOLQXFVSA-N 2 0 328.460 2.133 10 30 EEEERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592521692 468720082 /nfs/dbraw/zinc/72/00/82/468720082.db2.gz APLDSYRGDDVBSB-HXUWFJFHSA-N 2 0 342.487 2.069 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659034583 471477566 /nfs/dbraw/zinc/47/75/66/471477566.db2.gz OSESFEZAKZQWME-SFHVURJKSA-N 2 0 344.459 2.119 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC000915078406 684045702 /nfs/dbraw/zinc/04/57/02/684045702.db2.gz IRCJNXRNCADGCL-KRWDZBQOSA-N 2 0 346.475 2.059 10 30 EEEERP CC[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262432390 686049222 /nfs/dbraw/zinc/04/92/22/686049222.db2.gz FJSCBRQDDLVMLN-IRXDYDNUSA-N 2 0 346.523 2.049 10 30 EEEERP C=CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001691979157 1176482778 /nfs/dbraw/zinc/48/27/78/1176482778.db2.gz FWUBUUNNIFCHAS-LJQANCHMSA-N 2 0 329.488 2.127 10 30 EEEERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001266562375 1176852093 /nfs/dbraw/zinc/85/20/93/1176852093.db2.gz YGRQXNIUXDJSSG-IBGZPJMESA-N 2 0 345.462 2.100 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCC)CC2CCCC2)CC1 ZINC001691197954 1177702159 /nfs/dbraw/zinc/70/21/59/1177702159.db2.gz AOZDIWXARYYRMR-UHFFFAOYSA-N 2 0 333.520 2.350 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001267116736 1178280088 /nfs/dbraw/zinc/28/00/88/1178280088.db2.gz GPAMJSYRORQVCN-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001267182015 1178441304 /nfs/dbraw/zinc/44/13/04/1178441304.db2.gz SGOKTHVRPUCDMJ-RTBURBONSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001267489889 1179161496 /nfs/dbraw/zinc/16/14/96/1179161496.db2.gz BXOHOKGATZXWBV-KRWDZBQOSA-N 2 0 333.520 2.348 10 30 EEEERP C=CC[NH+]1CC[C@H](CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267565147 1179371899 /nfs/dbraw/zinc/37/18/99/1179371899.db2.gz JOJFFSXVUJTGHN-YJBOKZPZSA-N 2 0 325.472 2.213 10 30 EEEERP C#CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001481185169 1180025396 /nfs/dbraw/zinc/02/53/96/1180025396.db2.gz WDZUBNUDGKSHKI-IBGZPJMESA-N 2 0 331.504 2.387 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001267779989 1180518081 /nfs/dbraw/zinc/51/80/81/1180518081.db2.gz YEAKGMWQPRQNPP-RURPWVQCSA-N 2 0 331.504 2.221 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001481443796 1181359774 /nfs/dbraw/zinc/35/97/74/1181359774.db2.gz GAWFPTSRUYILKG-XHSDSOJGSA-N 2 0 327.900 2.297 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268078666 1181687306 /nfs/dbraw/zinc/68/73/06/1181687306.db2.gz HFDYINYVLWVRMJ-MAUKXSAKSA-N 2 0 347.890 2.222 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001268138901 1181798694 /nfs/dbraw/zinc/79/86/94/1181798694.db2.gz AQAHQBNWYUBPPE-QFBILLFUSA-N 2 0 327.472 2.212 10 30 EEEERP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)Cc1ccccc1 ZINC001268198406 1181992760 /nfs/dbraw/zinc/99/27/60/1181992760.db2.gz QRRSSBROQKFIFY-QUCCMNQESA-N 2 0 341.499 2.358 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]Cc2ccc(F)cc2)CC1 ZINC001481882630 1182868664 /nfs/dbraw/zinc/86/86/64/1182868664.db2.gz TUHSQSILGKGGEL-LJQANCHMSA-N 2 0 345.462 2.155 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001482033324 1183179175 /nfs/dbraw/zinc/17/91/75/1183179175.db2.gz HPPFOPCQVVRFSZ-UHFFFAOYSA-N 2 0 327.472 2.148 10 30 EEEERP CC[C@@H](C(=O)NC/C=C\C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001268619892 1183537894 /nfs/dbraw/zinc/53/78/94/1183537894.db2.gz UYWINRFTKPRFFD-XFHJGTJQSA-N 2 0 347.890 2.294 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001268958240 1183850451 /nfs/dbraw/zinc/85/04/51/1183850451.db2.gz JCGSABRYQDLCNJ-RTBURBONSA-N 2 0 341.499 2.349 10 30 EEEERP CC(C)[C@@H](C(=O)NCC1([NH2+]CC#Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC001269432910 1184262701 /nfs/dbraw/zinc/26/27/01/1184262701.db2.gz PVNVSMMNICTZJA-SFHVURJKSA-N 2 0 345.462 2.002 10 30 EEEERP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001271438171 1186224225 /nfs/dbraw/zinc/22/42/25/1186224225.db2.gz LPNXJZJAROYQQC-IBGZPJMESA-N 2 0 333.520 2.302 10 30 EEEERP CC[NH+]=C(NCCOC)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000081984404 1188846429 /nfs/dbraw/zinc/84/64/29/1188846429.db2.gz NOXGRIVEAKWMSG-HOCLYGCPSA-N 2 0 338.521 2.333 10 30 EEEERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001485855711 1193617493 /nfs/dbraw/zinc/61/74/93/1193617493.db2.gz MOFOKBOPTAYQLR-QAPCUYQASA-N 2 0 347.890 2.222 10 30 EEEERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1Cl ZINC001485955893 1193648396 /nfs/dbraw/zinc/64/83/96/1193648396.db2.gz RBOYBSWEWULEDD-INIZCTEOSA-N 2 0 347.890 2.224 10 30 EEEERP C[C@@H](CC(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1)n1ccnc1 ZINC001483494539 1190511333 /nfs/dbraw/zinc/51/13/33/1190511333.db2.gz OGBKWCWEGOERKV-INIZCTEOSA-N 2 0 339.443 2.344 10 30 EEEERP CC#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484821033 1191540006 /nfs/dbraw/zinc/54/00/06/1191540006.db2.gz KDNDBTYCODYROD-IBGZPJMESA-N 2 0 333.520 2.350 10 30 EEEERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001485101082 1191652200 /nfs/dbraw/zinc/65/22/00/1191652200.db2.gz PCNAFMAMKFGEQR-UHFFFAOYSA-N 2 0 347.890 2.128 10 30 EEEERP C=C(Br)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001410269688 1197650663 /nfs/dbraw/zinc/65/06/63/1197650663.db2.gz NTTYXGSBRTVUSE-ZIAGYGMSSA-N 2 0 346.313 2.110 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000876764076 1199763833 /nfs/dbraw/zinc/76/38/33/1199763833.db2.gz NRNSUDAELRFCEQ-HNNXBMFYSA-N 2 0 325.840 2.426 10 30 EEEERP C#CC[C@@H]1CC[N@H+](Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000877651063 1200007071 /nfs/dbraw/zinc/00/70/71/1200007071.db2.gz RIDNICTVOWEEDL-GOSISDBHSA-N 2 0 328.456 2.243 10 30 EEEERP C=CCC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCCO1 ZINC000883173435 1202025782 /nfs/dbraw/zinc/02/57/82/1202025782.db2.gz KLNQFALJCBAJSP-MOPGFXCFSA-N 2 0 344.503 2.437 10 30 EEEERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC#Cc1ccccc1Cl ZINC001274252472 1204977725 /nfs/dbraw/zinc/97/77/25/1204977725.db2.gz VKNUKLOINYHHPZ-QAPCUYQASA-N 2 0 347.890 2.080 10 30 EEEERP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001275189799 1205277718 /nfs/dbraw/zinc/27/77/18/1205277718.db2.gz AHJWNKVZWHGYDL-FQEVSTJZSA-N 2 0 345.531 2.446 10 30 EEEERP C#CCN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)C1CC[NH+](C)CC1 ZINC000927302728 1206251736 /nfs/dbraw/zinc/25/17/36/1206251736.db2.gz DKDCTNQAYOVTIP-UHFFFAOYSA-N 2 0 346.519 2.132 10 30 EEEERP CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903987813 1242887156 /nfs/dbraw/zinc/88/71/56/1242887156.db2.gz JXQBONQJMLNLPZ-KRWDZBQOSA-N 2 0 338.459 2.185 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)C(C)C ZINC001211223145 1295762135 /nfs/dbraw/zinc/76/21/35/1295762135.db2.gz RDQSWIOCVJEODO-SQNIBIBYSA-N 2 0 334.508 2.031 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1CC ZINC001276760549 1297509906 /nfs/dbraw/zinc/50/99/06/1297509906.db2.gz INHPLHXZJCCAAO-QUCCMNQESA-N 2 0 345.531 2.348 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC[NH+](C(C)C)CC1 ZINC001278163091 1306144697 /nfs/dbraw/zinc/14/46/97/1306144697.db2.gz AXOLDOCWNGBOIV-PKOBYXMFSA-N 2 0 331.504 2.338 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1CC[NH+](CCC)CC1 ZINC001278194644 1306246640 /nfs/dbraw/zinc/24/66/40/1306246640.db2.gz RMMGLZZKCJDNTQ-UHFFFAOYSA-N 2 0 333.520 2.443 10 30 EEEERP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001278336024 1309552641 /nfs/dbraw/zinc/55/26/41/1309552641.db2.gz OBPLCLLYGJOQMO-HKUYNNGSSA-N 2 0 337.483 2.004 10 30 EEEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001278503352 1310877690 /nfs/dbraw/zinc/87/76/90/1310877690.db2.gz BJOVCHPPFRBCRU-UYAOXDASSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001264586537 1322741055 /nfs/dbraw/zinc/74/10/55/1322741055.db2.gz RAHIXCUYNJPNSQ-HOJAQTOUSA-N 2 0 345.531 2.491 10 30 EEEERP C=CCC[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001265038060 1322879288 /nfs/dbraw/zinc/87/92/88/1322879288.db2.gz XXRMORAKGHVFQI-MOPGFXCFSA-N 2 0 329.488 2.346 10 30 EEEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265401210 1323132204 /nfs/dbraw/zinc/13/22/04/1323132204.db2.gz NDJSRCJBOOEMIE-RTBURBONSA-N 2 0 333.520 2.301 10 30 EEEERP C[NH+](C)CCCC(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2C#N)C1 ZINC001280172118 1324102713 /nfs/dbraw/zinc/10/27/13/1324102713.db2.gz CCFWQCSWWOPQAX-KRWDZBQOSA-N 2 0 342.487 2.228 10 30 EEEERP CC#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001280325112 1324156678 /nfs/dbraw/zinc/15/66/78/1324156678.db2.gz QQNXALVIUZQPJS-VQTJNVASSA-N 2 0 341.499 2.488 10 30 EEEERP C=CCC[NH2+]C1(C)CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001281507571 1325191257 /nfs/dbraw/zinc/19/12/57/1325191257.db2.gz BKPFVYLOMIRRED-UHFFFAOYSA-N 2 0 339.443 2.428 10 30 EEEERP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001282680906 1325764379 /nfs/dbraw/zinc/76/43/79/1325764379.db2.gz DCUKTRPYXSYTNW-RBUKOAKNSA-N 2 0 333.520 2.491 10 30 EEEERP C=CCC[NH2+]CCc1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001491900561 1330296260 /nfs/dbraw/zinc/29/62/60/1330296260.db2.gz QUNLPBORZSPOIK-FQEVSTJZSA-N 2 0 341.499 2.353 10 30 EEEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001491952274 1330344129 /nfs/dbraw/zinc/34/41/29/1330344129.db2.gz PXCHXVVIVMPSLQ-HXUWFJFHSA-N 2 0 341.499 2.107 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001492031327 1330456107 /nfs/dbraw/zinc/45/61/07/1330456107.db2.gz KHUKGBWSEIYQAH-UYAOXDASSA-N 2 0 341.499 2.397 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001316686891 1331331521 /nfs/dbraw/zinc/33/15/21/1331331521.db2.gz SEAFRLFOEXFBSR-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCOCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001316933385 1331999322 /nfs/dbraw/zinc/99/93/22/1331999322.db2.gz JNCNZRJQKSKDLM-RTBURBONSA-N 2 0 349.519 2.129 10 30 EEEERP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC#Cc1ccccc1 ZINC001317395180 1332212655 /nfs/dbraw/zinc/21/26/55/1332212655.db2.gz FWDUZXWIZIRCTF-QGZVFWFLSA-N 2 0 327.472 2.007 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2CCCF)CC1 ZINC001317436665 1332240147 /nfs/dbraw/zinc/24/01/47/1332240147.db2.gz XLNPCCBQXGGOAQ-SFHVURJKSA-N 2 0 337.483 2.052 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CC/C=C\CC)C2)CC1 ZINC001317863594 1332435041 /nfs/dbraw/zinc/43/50/41/1332435041.db2.gz OCVINOMLHHDADR-RURPWVQCSA-N 2 0 345.531 2.468 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001319285045 1332675435 /nfs/dbraw/zinc/67/54/35/1332675435.db2.gz JHUASRGGUNLPBF-QGZVFWFLSA-N 2 0 345.531 2.254 10 30 EEEERP CCC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001319562519 1332721843 /nfs/dbraw/zinc/72/18/43/1332721843.db2.gz LDBQHOISZZXHIT-QGZVFWFLSA-N 2 0 347.478 2.346 10 30 EEEERP CC[C@@H](C(=O)N(C)CCC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001322700875 1333310306 /nfs/dbraw/zinc/31/03/06/1333310306.db2.gz QGBPOYJWCQRCGF-SFHVURJKSA-N 2 0 349.906 2.470 10 30 EEEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001326488919 1334103015 /nfs/dbraw/zinc/10/30/15/1334103015.db2.gz CIYDAUOODJITET-INIZCTEOSA-N 2 0 325.456 2.073 10 30 EEEERP C=CCOCC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001327128352 1334228844 /nfs/dbraw/zinc/22/88/44/1334228844.db2.gz AWCHCSUDBOTHQD-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C=C(Cl)CN1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001333457713 1336051030 /nfs/dbraw/zinc/05/10/30/1336051030.db2.gz LIWHTKGJWATBBT-HUUCEWRRSA-N 2 0 325.884 2.360 10 30 EEEERP C=C(Br)CN(C)CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001479816691 1337399639 /nfs/dbraw/zinc/39/96/39/1337399639.db2.gz XBOZOFHVYKDYTJ-CQSZACIVSA-N 2 0 346.313 2.208 10 30 EEEERP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001566689852 1342603633 /nfs/dbraw/zinc/60/36/33/1342603633.db2.gz WBESLNYKRONAST-QZTJIDSGSA-N 2 0 349.519 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]CC2CCCC2)CC1 ZINC001676024929 1357091599 /nfs/dbraw/zinc/09/15/99/1357091599.db2.gz ZZXWIXNZZAFOQN-KRWDZBQOSA-N 2 0 333.520 2.396 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001569587280 1342904407 /nfs/dbraw/zinc/90/44/07/1342904407.db2.gz MXEAMZBFEKLEIF-YQVWRLOYSA-N 2 0 333.520 2.299 10 30 EEEERP C#CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1CC ZINC001569799802 1342946911 /nfs/dbraw/zinc/94/69/11/1342946911.db2.gz ITBAOELEWSPCMO-SFHVURJKSA-N 2 0 327.472 2.113 10 30 EEEERP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001569859577 1342960035 /nfs/dbraw/zinc/96/00/35/1342960035.db2.gz AFQMMXFGCYLJEM-FCGDIQPGSA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001663013924 1354887960 /nfs/dbraw/zinc/88/79/60/1354887960.db2.gz ICCYOVSOHKVOBD-KRWDZBQOSA-N 2 0 345.531 2.396 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001667346395 1355716500 /nfs/dbraw/zinc/71/65/00/1355716500.db2.gz QMWUQKOYIVATFV-MJGOQNOKSA-N 2 0 333.520 2.347 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001668468452 1355946310 /nfs/dbraw/zinc/94/63/10/1355946310.db2.gz ANQBCTRZRMDFTD-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1Cl ZINC001671342411 1356330597 /nfs/dbraw/zinc/33/05/97/1356330597.db2.gz JVNYSVWRSAOSJQ-QGZVFWFLSA-N 2 0 347.890 2.224 10 30 EEEERP CCCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001671720430 1356402339 /nfs/dbraw/zinc/40/23/39/1356402339.db2.gz QTLRDAVGBYPVJV-HKUYNNGSSA-N 2 0 339.524 2.116 10 30 EEEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001671794882 1356416433 /nfs/dbraw/zinc/41/64/33/1356416433.db2.gz HZXYSLJDIPDSPF-FQEVSTJZSA-N 2 0 327.472 2.213 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001672987155 1356627600 /nfs/dbraw/zinc/62/76/00/1356627600.db2.gz MBHGIRWZXSFGEQ-NCXUSEDFSA-N 2 0 331.504 2.291 10 30 EEEERP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001674271734 1356810364 /nfs/dbraw/zinc/81/03/64/1356810364.db2.gz MGXNEXHBTFAVSU-FXAWDEMLSA-N 2 0 339.483 2.067 10 30 EEEERP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)O2 ZINC001687937697 1358684566 /nfs/dbraw/zinc/68/45/66/1358684566.db2.gz GBVSYRLSGAARAA-ROUUACIJSA-N 2 0 349.519 2.175 10 30 EEEERP C#CC[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001698738420 1405038824 /nfs/dbraw/zinc/03/88/24/1405038824.db2.gz MYZJJKDTGBQSTN-UHFFFAOYSA-N 2 0 331.504 2.200 10 30 EEEERP CC#CC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001698956313 1405188120 /nfs/dbraw/zinc/18/81/20/1405188120.db2.gz SKHOLTDQGNHEHV-ROUUACIJSA-N 2 0 333.520 2.443 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C/C=C/Cl)CC1(C)C ZINC000940811187 779355053 /nfs/dbraw/zinc/35/50/53/779355053.db2.gz BSTILCZKORATKA-MYNUTGAYSA-N 2 0 337.895 2.053 10 30 EEEERP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1CC ZINC001566028844 1125505091 /nfs/dbraw/zinc/50/50/91/1125505091.db2.gz HSQBCYKEXNMEBT-IPMKNSEASA-N 2 0 333.520 2.489 10 30 EEEERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437169992 1089192051 /nfs/dbraw/zinc/19/20/51/1089192051.db2.gz WGMVWULKVWAKQN-PBHICJAKSA-N 2 0 346.450 2.166 10 30 EEEERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001448561929 1093609489 /nfs/dbraw/zinc/60/94/89/1093609489.db2.gz PTUNFLKTRGBGJA-RBUKOAKNSA-N 2 0 342.487 2.130 10 30 EEEERP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)s1)C(=O)C[NH+]1CCCC1 ZINC001440887577 1094145195 /nfs/dbraw/zinc/14/51/95/1094145195.db2.gz MLCCUTBDWRRVJB-UHFFFAOYSA-N 2 0 348.516 2.290 10 30 EEEERP CCCC[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441144642 1094481527 /nfs/dbraw/zinc/48/15/27/1094481527.db2.gz ZQFLXCSCRYTONO-LSDHHAIUSA-N 2 0 348.516 2.336 10 30 EEEERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001442218953 1096513711 /nfs/dbraw/zinc/51/37/11/1096513711.db2.gz JDVCLEKUJZEDKT-AWEZNQCLSA-N 2 0 348.516 2.288 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001480045369 1099549085 /nfs/dbraw/zinc/54/90/85/1099549085.db2.gz WNAZRAQWWBTBBA-GOSISDBHSA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CC[C@@H](C)F)CC1 ZINC001480368484 1100144370 /nfs/dbraw/zinc/14/43/70/1100144370.db2.gz YFUOOYJPNADTFX-AEFFLSMTSA-N 2 0 337.483 2.050 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CCCC=C)CC1 ZINC001480368450 1100145160 /nfs/dbraw/zinc/14/51/60/1100145160.db2.gz XCYQZTNUZQCHLV-LJQANCHMSA-N 2 0 331.504 2.269 10 30 EEEERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001497727433 1102976152 /nfs/dbraw/zinc/97/61/52/1102976152.db2.gz XUPLUNFBSGDXGD-XFHJGTJQSA-N 2 0 346.450 2.046 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001493900293 1103079446 /nfs/dbraw/zinc/07/94/46/1103079446.db2.gz WEEYRENNCMYWJH-LJQANCHMSA-N 2 0 327.472 2.189 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001480739912 1107024628 /nfs/dbraw/zinc/02/46/28/1107024628.db2.gz UDCIEQIUCCKLTQ-HXUWFJFHSA-N 2 0 341.499 2.303 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1CC)C(C)C ZINC001467659897 1110461233 /nfs/dbraw/zinc/46/12/33/1110461233.db2.gz BPGVFWBAXQVRHX-ROUUACIJSA-N 2 0 336.524 2.421 10 30 EEEERP C=CCCC[NH+]1CCC(C)(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001500003573 1112574309 /nfs/dbraw/zinc/57/43/09/1112574309.db2.gz VMXHTDKOIMUPBU-UHFFFAOYSA-N 2 0 337.508 2.034 10 30 EEEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CCCC1 ZINC001500096333 1112614963 /nfs/dbraw/zinc/61/49/63/1112614963.db2.gz FYLMIXCYYOBFDV-RTBURBONSA-N 2 0 333.520 2.395 10 30 EEEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001501679260 1113430828 /nfs/dbraw/zinc/43/08/28/1113430828.db2.gz NKNKMZYPCKOFOO-MRXNPFEDSA-N 2 0 327.472 2.319 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001501718546 1113447949 /nfs/dbraw/zinc/44/79/49/1113447949.db2.gz MXBFFLVVIDOUSO-JYJNAYRXSA-N 2 0 327.900 2.345 10 30 EEEERP CN(CCC[N@H+](C)CC#Cc1ccccc1Cl)C(=O)CC[NH+](C)C ZINC001502371409 1113649529 /nfs/dbraw/zinc/64/95/29/1113649529.db2.gz KCSLSAPBLGRLSR-UHFFFAOYSA-N 2 0 349.906 2.424 10 30 EEEERP C=CCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC[NH+]1CCCCC1)O2 ZINC001502443075 1113686319 /nfs/dbraw/zinc/68/63/19/1113686319.db2.gz KPEXFYYQQJEUDG-GOSISDBHSA-N 2 0 349.519 2.178 10 30 EEEERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001505677246 1114125635 /nfs/dbraw/zinc/12/56/35/1114125635.db2.gz FWOUDOYGOCSSBT-ZIAGYGMSSA-N 2 0 334.439 2.022 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001507081244 1115098337 /nfs/dbraw/zinc/09/83/37/1115098337.db2.gz BKLKMPAGNVCERX-LPHOPBHVSA-N 2 0 342.487 2.369 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001507361822 1115222460 /nfs/dbraw/zinc/22/24/60/1115222460.db2.gz DCWGVNNEDXJKJD-FGTMMUONSA-N 2 0 331.504 2.265 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC(=C)C)[C@H](C)C2)CC1 ZINC001568369776 1124442122 /nfs/dbraw/zinc/44/21/22/1124442122.db2.gz VZVYVBWUQLFLLP-IEBWSBKVSA-N 2 0 331.504 2.124 10 30 EEEERP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001568431307 1124499272 /nfs/dbraw/zinc/49/92/72/1124499272.db2.gz HITXYXYPNXHIKR-IEBWSBKVSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCC2CC2)CC1 ZINC001568545447 1124604776 /nfs/dbraw/zinc/60/47/76/1124604776.db2.gz QEXAHMUZWSJKKR-RTBURBONSA-N 2 0 331.504 2.006 10 30 EEEERP C=C(Br)C[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001568970099 1125007988 /nfs/dbraw/zinc/00/79/88/1125007988.db2.gz SLLFVFZTDPZBGX-KOABKASLSA-N 2 0 344.297 2.030 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000417066710 466768899 /nfs/dbraw/zinc/76/88/99/466768899.db2.gz QZRLUGVTHJJCDK-ICSRJNTNSA-N 2 0 348.535 2.470 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000594444901 468590734 /nfs/dbraw/zinc/59/07/34/468590734.db2.gz ZVUSAJCSUHMFRG-HOTGVXAUSA-N 2 0 334.851 2.224 10 30 EEEERP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000600731394 468639678 /nfs/dbraw/zinc/63/96/78/468639678.db2.gz WQRHPEMNKKDLLM-SFHVURJKSA-N 2 0 335.492 2.054 10 30 EEEERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccc(C#N)c1 ZINC001691762981 1176387148 /nfs/dbraw/zinc/38/71/48/1176387148.db2.gz HTRYADNUQGFMAH-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001772514883 1176503879 /nfs/dbraw/zinc/50/38/79/1176503879.db2.gz DWWDWDLHGXZOLL-ROUUACIJSA-N 2 0 331.504 2.102 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001480875885 1176622128 /nfs/dbraw/zinc/62/21/28/1176622128.db2.gz WVIHAEFTFMHRJW-YJBOKZPZSA-N 2 0 331.435 2.032 10 30 EEEERP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2cnccc2OC)C1 ZINC001266892485 1177730535 /nfs/dbraw/zinc/73/05/35/1177730535.db2.gz VWDUWLCSLOLKOM-JKSUJKDBSA-N 2 0 331.460 2.426 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001267070921 1178187593 /nfs/dbraw/zinc/18/75/93/1178187593.db2.gz RASTWFZQSLXBDJ-ZWKOTPCHSA-N 2 0 331.504 2.124 10 30 EEEERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001267123962 1178291183 /nfs/dbraw/zinc/29/11/83/1178291183.db2.gz ZGXDIXLMDDJNEA-QAPCUYQASA-N 2 0 347.890 2.270 10 30 EEEERP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001267602627 1179663783 /nfs/dbraw/zinc/66/37/83/1179663783.db2.gz HTCFEZJRBJQYSH-MOPGFXCFSA-N 2 0 331.504 2.197 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001267916300 1180759975 /nfs/dbraw/zinc/75/99/75/1180759975.db2.gz RRAFMHXZJKMWEJ-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268067276 1181661064 /nfs/dbraw/zinc/66/10/64/1181661064.db2.gz SNIFRWBXKPMZRW-PKOBYXMFSA-N 2 0 347.478 2.155 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CCCn1ccnc1C ZINC001268166068 1181902144 /nfs/dbraw/zinc/90/21/44/1181902144.db2.gz JFKOKZGDSYTFLY-GOSISDBHSA-N 2 0 330.476 2.356 10 30 EEEERP CC(C)[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC001268224666 1182036429 /nfs/dbraw/zinc/03/64/29/1182036429.db2.gz VJMYYFCGZBYVRE-PMACEKPBSA-N 2 0 343.515 2.355 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001482172032 1183498467 /nfs/dbraw/zinc/49/84/67/1183498467.db2.gz MOXXBGSVZQWISK-INIZCTEOSA-N 2 0 345.462 2.013 10 30 EEEERP C=C(C)C[N@@H+](CCOC)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001269643906 1184468028 /nfs/dbraw/zinc/46/80/28/1184468028.db2.gz CHWCKACNFYUFPT-GOSISDBHSA-N 2 0 339.524 2.088 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001271782722 1186480483 /nfs/dbraw/zinc/48/04/83/1186480483.db2.gz FTXDCJVGWGSZGH-MKXGPGLRSA-N 2 0 333.520 2.252 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001482698697 1187668094 /nfs/dbraw/zinc/66/80/94/1187668094.db2.gz RPFQAXBAAPOYBM-RTBURBONSA-N 2 0 327.472 2.260 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001670984598 1193538556 /nfs/dbraw/zinc/53/85/56/1193538556.db2.gz CWUNNPDRHKUGTG-RBUKOAKNSA-N 2 0 331.504 2.053 10 30 EEEERP C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483136721 1188682349 /nfs/dbraw/zinc/68/23/49/1188682349.db2.gz DFHDXCXELIONIP-RHSMWYFYSA-N 2 0 346.450 2.166 10 30 EEEERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001409400566 1189625556 /nfs/dbraw/zinc/62/55/56/1189625556.db2.gz VUDFJJGXORPCRF-KBPBESRZSA-N 2 0 346.450 2.164 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001409400914 1189625881 /nfs/dbraw/zinc/62/58/81/1189625881.db2.gz SONUBXWWEGRBAL-QWHCGFSZSA-N 2 0 333.823 2.116 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001483261576 1190286892 /nfs/dbraw/zinc/28/68/92/1190286892.db2.gz DUFMJCZIERDQCX-HNNXBMFYSA-N 2 0 347.890 2.128 10 30 EEEERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2 ZINC001486143653 1193695536 /nfs/dbraw/zinc/69/55/36/1193695536.db2.gz CALNCQFTVRKMOV-CTNGQTDRSA-N 2 0 339.483 2.103 10 30 EEEERP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](C/C=C/Cl)CC1 ZINC001483989467 1191144635 /nfs/dbraw/zinc/14/46/35/1191144635.db2.gz KOKGAWCAILVSEW-RMKNXTFCSA-N 2 0 325.884 2.005 10 30 EEEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484163933 1191251645 /nfs/dbraw/zinc/25/16/45/1191251645.db2.gz QJQHTMPUKLOOKG-IBGZPJMESA-N 2 0 331.504 2.104 10 30 EEEERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001485159456 1191674094 /nfs/dbraw/zinc/67/40/94/1191674094.db2.gz XLKYOWQUTDIOJM-HOTGVXAUSA-N 2 0 345.462 2.144 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001272986212 1194294872 /nfs/dbraw/zinc/29/48/72/1194294872.db2.gz PZARGYANGHERRN-CQSZACIVSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000876709042 1199732913 /nfs/dbraw/zinc/73/29/13/1199732913.db2.gz HSXYSEOYOZLWJJ-CHWSQXEVSA-N 2 0 327.881 2.471 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000876735641 1199747924 /nfs/dbraw/zinc/74/79/24/1199747924.db2.gz ALMKUAGHVOYDEW-KRWDZBQOSA-N 2 0 335.879 2.485 10 30 EEEERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(c3ccc(C#N)cn3)CC1)[NH2+]2 ZINC000925607183 1206134817 /nfs/dbraw/zinc/13/48/17/1206134817.db2.gz AISGUGZHYKIPEB-RNJTYBCJSA-N 2 0 325.460 2.041 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000901251219 1235444360 /nfs/dbraw/zinc/44/43/60/1235444360.db2.gz FQSCHQFFQIXCSW-UHFFFAOYSA-N 2 0 331.460 2.090 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000901280697 1235471790 /nfs/dbraw/zinc/47/17/90/1235471790.db2.gz SZDACCKDWKRZEU-IBGZPJMESA-N 2 0 345.487 2.456 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CC2(C1)C[C@H]([NH3+])CCO2)C(C)C ZINC001121990737 1310194484 /nfs/dbraw/zinc/19/44/84/1310194484.db2.gz HSFIXRWGKCKGHI-NNVNDSJASA-N 2 0 349.519 2.088 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CCC2CC2)CC1 ZINC001489333095 1290515673 /nfs/dbraw/zinc/51/56/73/1290515673.db2.gz JKEBKHFMJXVCJC-FQEVSTJZSA-N 2 0 345.531 2.445 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001490281186 1291111946 /nfs/dbraw/zinc/11/19/46/1291111946.db2.gz HBNFBDGVGIEGKC-HUUCEWRRSA-N 2 0 348.516 2.431 10 30 EEEERP C=CC[C@]1(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000852866157 1292220011 /nfs/dbraw/zinc/22/00/11/1292220011.db2.gz TUMRYKMPUUNEMY-LJQANCHMSA-N 2 0 331.460 2.288 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001277932546 1305159566 /nfs/dbraw/zinc/15/95/66/1305159566.db2.gz ILHIFJSDSWLYOE-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(CC)CC)C2)CC1 ZINC001264411839 1322693856 /nfs/dbraw/zinc/69/38/56/1322693856.db2.gz QPQPLKBEWZRSBE-IZAXUBKRSA-N 2 0 333.520 2.252 10 30 EEEERP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001264644227 1322764729 /nfs/dbraw/zinc/76/47/29/1322764729.db2.gz RAYNJXBXOSKACV-CEXWTWQISA-N 2 0 331.504 2.075 10 30 EEEERP C=CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001264747117 1322801167 /nfs/dbraw/zinc/80/11/67/1322801167.db2.gz QFINAVDAUUGATL-OAHLLOKOSA-N 2 0 348.516 2.178 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001265565362 1323222539 /nfs/dbraw/zinc/22/25/39/1323222539.db2.gz OABBRJXBQXAVBF-HDICACEKSA-N 2 0 347.890 2.270 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266074629 1323630346 /nfs/dbraw/zinc/63/03/46/1323630346.db2.gz CAFKOOBFXZGZNT-VQTJNVASSA-N 2 0 341.499 2.397 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001491682087 1330203806 /nfs/dbraw/zinc/20/38/06/1330203806.db2.gz IPRMNSDFWBSKGY-KGLIPLIRSA-N 2 0 346.313 2.110 10 30 EEEERP CC#CC[NH2+]CCc1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001491903851 1330297815 /nfs/dbraw/zinc/29/78/15/1330297815.db2.gz GXAMIYKCSVNWAJ-QZTJIDSGSA-N 2 0 341.499 2.331 10 30 EEEERP C[N@H+](CC#Cc1ccccc1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491964720 1330359356 /nfs/dbraw/zinc/35/93/56/1330359356.db2.gz AMCKEKHQWBLYRS-HXUWFJFHSA-N 2 0 339.483 2.057 10 30 EEEERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001492128393 1330981254 /nfs/dbraw/zinc/98/12/54/1330981254.db2.gz RXTVCOGDNWVYJA-RDJZCZTQSA-N 2 0 347.890 2.128 10 30 EEEERP C=C(C)CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[NH+]1CCCC1)C2 ZINC001316805857 1331903438 /nfs/dbraw/zinc/90/34/38/1331903438.db2.gz LXVNNTNHGVINBG-UHFFFAOYSA-N 2 0 348.516 2.179 10 30 EEEERP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001317646577 1332346242 /nfs/dbraw/zinc/34/62/42/1332346242.db2.gz MVTPQTIPMYTYLZ-UHFFFAOYSA-N 2 0 348.516 2.288 10 30 EEEERP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001317810147 1332416170 /nfs/dbraw/zinc/41/61/70/1332416170.db2.gz YKBZICGTCPZMHV-WOJBJXKFSA-N 2 0 341.499 2.207 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001319592021 1332725830 /nfs/dbraw/zinc/72/58/30/1332725830.db2.gz GJZLZKZFOLSBRA-INIZCTEOSA-N 2 0 349.906 2.468 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001319812305 1332774199 /nfs/dbraw/zinc/77/41/99/1332774199.db2.gz XHMFZMDAFKKMOO-MSOLQXFVSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001319867859 1332788963 /nfs/dbraw/zinc/78/89/63/1332788963.db2.gz HAUFOEKRCSMMJX-LPHOPBHVSA-N 2 0 327.472 2.212 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320465571 1332891168 /nfs/dbraw/zinc/89/11/68/1332891168.db2.gz ZFAZAQAIDWFPRE-CJNGLKHVSA-N 2 0 334.489 2.088 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cc(C)ccc1F ZINC001320756382 1332946710 /nfs/dbraw/zinc/94/67/10/1332946710.db2.gz WDOPVCUJWQORKS-IBGZPJMESA-N 2 0 345.462 2.170 10 30 EEEERP CC[N@H+](C)CCC(=O)NC/C=C/C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001321321916 1333073928 /nfs/dbraw/zinc/07/39/28/1333073928.db2.gz JJXXGBSGHMXWPL-SNAWJCMRSA-N 2 0 347.890 2.295 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001322347433 1333251622 /nfs/dbraw/zinc/25/16/22/1333251622.db2.gz SOVYKKQUVRZMDO-AZUAARDMSA-N 2 0 341.499 2.302 10 30 EEEERP C=CCOCC[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001328050519 1334384371 /nfs/dbraw/zinc/38/43/71/1334384371.db2.gz LZYDBUWQONYOHB-UHFFFAOYSA-N 2 0 337.508 2.036 10 30 EEEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC001330428188 1334842421 /nfs/dbraw/zinc/84/24/21/1334842421.db2.gz LSQWJBGTXURSML-LPHOPBHVSA-N 2 0 345.487 2.143 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#Cc2ccccc2)CC[N@@H+]1C ZINC001331456190 1335017051 /nfs/dbraw/zinc/01/70/51/1335017051.db2.gz SJJMVWKPGRNNCF-YZGWKJHDSA-N 2 0 341.499 2.205 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001332459370 1335828386 /nfs/dbraw/zinc/82/83/86/1335828386.db2.gz LGESESIXEORSNQ-LSDHHAIUSA-N 2 0 347.425 2.131 10 30 EEEERP C=CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F ZINC001333022926 1335949552 /nfs/dbraw/zinc/94/95/52/1335949552.db2.gz XDKZWCFLHGXQSE-LSDHHAIUSA-N 2 0 347.425 2.273 10 30 EEEERP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001340567610 1337207758 /nfs/dbraw/zinc/20/77/58/1337207758.db2.gz FSFZDXYGVAQRCH-QGZVFWFLSA-N 2 0 346.523 2.194 10 30 EEEERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001567052571 1342686740 /nfs/dbraw/zinc/68/67/40/1342686740.db2.gz GIBKGOFNAUWRGC-VQIMIIECSA-N 2 0 347.478 2.392 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676017867 1357088832 /nfs/dbraw/zinc/08/88/32/1357088832.db2.gz CXXBFCFAZVQAQH-GOEBONIOSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CC=C(C)C)C2)CC1 ZINC001567740909 1342829842 /nfs/dbraw/zinc/82/98/42/1342829842.db2.gz GQJJXCDPROZPKV-GOSISDBHSA-N 2 0 331.504 2.078 10 30 EEEERP C=CCOCC[NH+]1CCC(C)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001569578050 1342900690 /nfs/dbraw/zinc/90/06/90/1342900690.db2.gz CVTJRWKCFGIEQH-IRXDYDNUSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001571650672 1343262557 /nfs/dbraw/zinc/26/25/57/1343262557.db2.gz BOMQTEILEMOAAH-HKUYNNGSSA-N 2 0 333.520 2.347 10 30 EEEERP C=CC[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+]2CCC3)c(F)c1 ZINC001677644703 1357382813 /nfs/dbraw/zinc/38/28/13/1357382813.db2.gz JMXMWTCQYCVFBZ-UHFFFAOYSA-N 2 0 331.435 2.346 10 30 EEEERP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC001655627390 1354180605 /nfs/dbraw/zinc/18/06/05/1354180605.db2.gz BXARFBQXSRGOLQ-HSALFYBXSA-N 2 0 339.483 2.227 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001662424454 1354795362 /nfs/dbraw/zinc/79/53/62/1354795362.db2.gz LCVLQCZJSUUVGV-KRWDZBQOSA-N 2 0 333.520 2.396 10 30 EEEERP C=C(C)C[NH2+]CCc1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001662804996 1354850579 /nfs/dbraw/zinc/85/05/79/1354850579.db2.gz AKAXOPQCWBYPDU-FQEVSTJZSA-N 2 0 341.499 2.353 10 30 EEEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001671892287 1356432806 /nfs/dbraw/zinc/43/28/06/1356432806.db2.gz MLYPEFBQXPGNRT-FQEVSTJZSA-N 2 0 338.455 2.498 10 30 EEEERP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001671908126 1356436702 /nfs/dbraw/zinc/43/67/02/1356436702.db2.gz PDLLMJOBHIAHQE-UYAOXDASSA-N 2 0 333.520 2.493 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001698840591 1405101773 /nfs/dbraw/zinc/10/17/73/1405101773.db2.gz MOBFFDXCQBVRTR-QAPCUYQASA-N 2 0 347.890 2.222 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001698917534 1405160433 /nfs/dbraw/zinc/16/04/33/1405160433.db2.gz JCRYOTVMTDOAQA-FQEVSTJZSA-N 2 0 341.499 2.155 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCCCCC)CC1 ZINC001699766999 1405476733 /nfs/dbraw/zinc/47/67/33/1405476733.db2.gz KPJSGZWSSZCNAU-IBGZPJMESA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941075219 779794924 /nfs/dbraw/zinc/79/49/24/779794924.db2.gz ILASYAMJGUFPKI-QZTJIDSGSA-N 2 0 333.520 2.489 10 30 EEEERP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941158488 780002718 /nfs/dbraw/zinc/00/27/18/780002718.db2.gz PKTZXRUWYSHYRD-LJQANCHMSA-N 2 0 345.531 2.348 10 30 EEEERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1ccccc1C#N ZINC001437176750 1089209238 /nfs/dbraw/zinc/20/92/38/1089209238.db2.gz YUMJMWDGPOCLAO-MRXNPFEDSA-N 2 0 340.471 2.029 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437321078 1089482687 /nfs/dbraw/zinc/48/26/87/1089482687.db2.gz IZGNOQUESIXUCL-MOPGFXCFSA-N 2 0 342.487 2.415 10 30 EEEERP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)c(F)c1 ZINC001437601294 1090111918 /nfs/dbraw/zinc/11/19/18/1090111918.db2.gz GTRZDZNDSSHKCR-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001438663353 1091152195 /nfs/dbraw/zinc/15/21/95/1091152195.db2.gz JLSYZABCNLBFCT-HUUCEWRRSA-N 2 0 348.516 2.431 10 30 EEEERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001440380430 1093550071 /nfs/dbraw/zinc/55/00/71/1093550071.db2.gz BPYLHNSTTGDNBC-WMLDXEAASA-N 2 0 348.516 2.431 10 30 EEEERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001440840216 1094095225 /nfs/dbraw/zinc/09/52/25/1094095225.db2.gz YNJLYZWWHJFUCS-JKSUJKDBSA-N 2 0 342.487 2.415 10 30 EEEERP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001440841766 1094097373 /nfs/dbraw/zinc/09/73/73/1094097373.db2.gz PUZIXKDVVDFHIO-HOTGVXAUSA-N 2 0 342.487 2.273 10 30 EEEERP C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001474247042 1110591613 /nfs/dbraw/zinc/59/16/13/1110591613.db2.gz OIGCCVFZBZJZNC-AWEZNQCLSA-N 2 0 342.386 2.486 10 30 EEEERP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001499615833 1112413122 /nfs/dbraw/zinc/41/31/22/1112413122.db2.gz IOCAYOBQMYMFEF-HXUWFJFHSA-N 2 0 333.520 2.446 10 30 EEEERP C#CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CC[NH+](CC)CC1 ZINC001500043956 1112591237 /nfs/dbraw/zinc/59/12/37/1112591237.db2.gz XGKUKUUDJMYDOF-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001501152594 1113216887 /nfs/dbraw/zinc/21/68/87/1113216887.db2.gz AEAMOGNJKJRJHD-ZBFHGGJFSA-N 2 0 327.900 2.299 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]C[C@@H](C)CC)CC1 ZINC001501898491 1113515429 /nfs/dbraw/zinc/51/54/29/1113515429.db2.gz KTDSCTJHKJVDIT-PKOBYXMFSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001506861656 1114927745 /nfs/dbraw/zinc/92/77/45/1114927745.db2.gz WGMRPFPIWVDVEI-HRCADAONSA-N 2 0 339.911 2.440 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC[N@H+](C)CC2CCC2)C(C)C)CC1 ZINC001507861740 1115360459 /nfs/dbraw/zinc/36/04/59/1115360459.db2.gz FQMSDRKSCVRICD-UHFFFAOYSA-N 2 0 333.520 2.301 10 30 EEEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001508140126 1115426204 /nfs/dbraw/zinc/42/62/04/1115426204.db2.gz FITGRQWTTGZTGA-CTWPCTMYSA-N 2 0 327.472 2.282 10 30 EEEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001568112262 1124308622 /nfs/dbraw/zinc/30/86/22/1124308622.db2.gz ROEDUCKFWBEIKR-WGSAOQKQSA-N 2 0 327.472 2.402 10 30 EEEERP C#CC[NH+]1CCC(CCNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001568127416 1124317748 /nfs/dbraw/zinc/31/77/48/1124317748.db2.gz FCFKQZSJIRUWMH-UHFFFAOYSA-N 2 0 341.499 2.256 10 30 EEEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568329412 1124421797 /nfs/dbraw/zinc/42/17/97/1124421797.db2.gz XPWGXDZDXBEPFE-MSOLQXFVSA-N 2 0 333.520 2.395 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@H]2C[NH2+]CCCC)CC1 ZINC001568435039 1124503251 /nfs/dbraw/zinc/50/32/51/1124503251.db2.gz WEKULXMDIDJSBK-PKOBYXMFSA-N 2 0 333.520 2.348 10 30 EEEERP CC[C@@H](O)[C@@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872647 465272046 /nfs/dbraw/zinc/27/20/46/465272046.db2.gz GIVPJINMCYAWSV-LWYYNNOASA-N 2 0 336.520 2.241 10 30 EEEERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000568975499 468416327 /nfs/dbraw/zinc/41/63/27/468416327.db2.gz IJKCEZWGDKVJBX-CTWPCTMYSA-N 2 0 345.487 2.202 10 30 EEEERP N#CC1(C[C@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)CCOCC1 ZINC000600729310 468639277 /nfs/dbraw/zinc/63/92/77/468639277.db2.gz XLTXHUQZJUITJP-SFHVURJKSA-N 2 0 337.508 2.304 10 30 EEEERP CC(C)[NH+](CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C(C)C ZINC000600730415 468639710 /nfs/dbraw/zinc/63/97/10/468639710.db2.gz OUNPWZQQCCAJJI-QGZVFWFLSA-N 2 0 325.497 2.156 10 30 EEEERP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000262468545 686198725 /nfs/dbraw/zinc/19/87/25/686198725.db2.gz OEFIMUNCJAYLQJ-YCPHGPKFSA-N 2 0 336.505 2.166 10 30 EEEERP C=CCCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001485557419 1191835480 /nfs/dbraw/zinc/83/54/80/1191835480.db2.gz ALVWVHOTVRRTNK-ICSRJNTNSA-N 2 0 349.519 2.130 10 30 EEEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001266390241 1176463075 /nfs/dbraw/zinc/46/30/75/1176463075.db2.gz PPEYKKKBQLLACJ-ROUUACIJSA-N 2 0 333.520 2.443 10 30 EEEERP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001671355530 1177006404 /nfs/dbraw/zinc/00/64/04/1177006404.db2.gz NDEPVYCYGXZVMS-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2cnccc2OC)C1 ZINC001266892479 1177730798 /nfs/dbraw/zinc/73/07/98/1177730798.db2.gz VWDUWLCSLOLKOM-CVEARBPZSA-N 2 0 331.460 2.426 10 30 EEEERP C=C(C)CC[NH2+]CCc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001267098416 1178236011 /nfs/dbraw/zinc/23/60/11/1178236011.db2.gz OWPFKMWJPXEGHD-UHFFFAOYSA-N 2 0 341.499 2.497 10 30 EEEERP C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001691427882 1178314433 /nfs/dbraw/zinc/31/44/33/1178314433.db2.gz GLXFZYXQGNMJPC-NEWSRXKRSA-N 2 0 331.504 2.101 10 30 EEEERP C#CCC[N@H+](CCC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001481147858 1179919008 /nfs/dbraw/zinc/91/90/08/1179919008.db2.gz OOEHUWCJMCIHNM-GOSISDBHSA-N 2 0 325.472 2.050 10 30 EEEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001481334163 1181056265 /nfs/dbraw/zinc/05/62/65/1181056265.db2.gz LJKZBBIVKXKFQK-CQSZACIVSA-N 2 0 333.501 2.273 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCC(=C)C)CCCC2)CC1 ZINC001268042281 1181473471 /nfs/dbraw/zinc/47/34/71/1181473471.db2.gz NZMGQJFPNYVBEL-UHFFFAOYSA-N 2 0 331.504 2.316 10 30 EEEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001268108945 1181753846 /nfs/dbraw/zinc/75/38/46/1181753846.db2.gz YNUVJSLOOQCSMN-INIZCTEOSA-N 2 0 326.444 2.400 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001268284067 1182156848 /nfs/dbraw/zinc/15/68/48/1182156848.db2.gz MTQIPIPLCINZOW-UYAOXDASSA-N 2 0 341.499 2.302 10 30 EEEERP C[C@H](CNC(=O)CCC[NH+](C)C)C[NH2+]CC#Cc1ccccc1Cl ZINC001482134697 1183388501 /nfs/dbraw/zinc/38/85/01/1183388501.db2.gz BFZZCVYVCFEFKA-INIZCTEOSA-N 2 0 349.906 2.375 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001284376653 1183887226 /nfs/dbraw/zinc/88/72/26/1183887226.db2.gz WSQPEVXTDLMRCK-ZIAGYGMSSA-N 2 0 335.414 2.129 10 30 EEEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001270339038 1185030183 /nfs/dbraw/zinc/03/01/83/1185030183.db2.gz ZWEOFTYSNMQNJT-UHFFFAOYSA-N 2 0 333.501 2.126 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001270701630 1185328187 /nfs/dbraw/zinc/32/81/87/1185328187.db2.gz WIKQWTJFDFEBEP-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001482531060 1186523585 /nfs/dbraw/zinc/52/35/85/1186523585.db2.gz IZZCVLPYBHERLY-MJGOQNOKSA-N 2 0 333.520 2.395 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](CC)c1ccccc1 ZINC001483019921 1188007299 /nfs/dbraw/zinc/00/72/99/1188007299.db2.gz RDMFHEPDYDSYLS-IQHLRMOPSA-N 2 0 339.483 2.497 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1ccnc1C(C)C ZINC001483443389 1190482277 /nfs/dbraw/zinc/48/22/77/1190482277.db2.gz QADLBUYYBDTYIY-IAGOWNOFSA-N 2 0 330.476 2.294 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2 ZINC001486143656 1193695759 /nfs/dbraw/zinc/69/57/59/1193695759.db2.gz CALNCQFTVRKMOV-TZIWHRDSSA-N 2 0 339.483 2.103 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001272535566 1190870579 /nfs/dbraw/zinc/87/05/79/1190870579.db2.gz XSTBKLQSIZYQSW-IEBWSBKVSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001483817493 1191045787 /nfs/dbraw/zinc/04/57/87/1191045787.db2.gz OHDPDKAODTYSRD-LJQANCHMSA-N 2 0 333.520 2.443 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CCCCC)C2)CC1 ZINC001484359208 1191315316 /nfs/dbraw/zinc/31/53/16/1191315316.db2.gz SVHCAHHXARUXKZ-MJGOQNOKSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CCOCC1 ZINC001484862819 1191554640 /nfs/dbraw/zinc/55/46/40/1191554640.db2.gz RNQXIIKLVIIEFK-QGZVFWFLSA-N 2 0 337.508 2.080 10 30 EEEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001484928236 1191574052 /nfs/dbraw/zinc/57/40/52/1191574052.db2.gz LSKIKGJOVAFSMM-GOSISDBHSA-N 2 0 333.520 2.491 10 30 EEEERP C[NH+](C)CCCC(=O)N1CCC(C)([NH2+]CC#Cc2ccccc2)CC1 ZINC001484920812 1191575812 /nfs/dbraw/zinc/57/58/12/1191575812.db2.gz JUSQHVQENULMGO-UHFFFAOYSA-N 2 0 341.499 2.351 10 30 EEEERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001485188096 1191685213 /nfs/dbraw/zinc/68/52/13/1191685213.db2.gz GYSUOECVJPXXIC-GJZGRUSLSA-N 2 0 335.879 2.126 10 30 EEEERP C#Cc1cccc(NC(=S)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000865245845 1198139456 /nfs/dbraw/zinc/13/94/56/1198139456.db2.gz RJRSXJSIZYNNFX-IAGOWNOFSA-N 2 0 344.528 2.036 10 30 EEEERP C=C(Br)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001410949451 1198614936 /nfs/dbraw/zinc/61/49/36/1198614936.db2.gz FXOQPXGUIKDSNR-KBPBESRZSA-N 2 0 346.313 2.110 10 30 EEEERP CN(CC(C)(C)C[NH2+]CC#Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001275704021 1205490998 /nfs/dbraw/zinc/49/09/98/1205490998.db2.gz HXWRHZNJQSGLSQ-LJQANCHMSA-N 2 0 341.499 2.207 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000900186826 1234075135 /nfs/dbraw/zinc/07/51/35/1234075135.db2.gz FKDZKGKPEIQGPP-UHFFFAOYSA-N 2 0 329.488 2.318 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]Cc2ccsc2)CC1 ZINC001273766361 1285178462 /nfs/dbraw/zinc/17/84/62/1285178462.db2.gz YFDUXHXMLPKEOR-UHFFFAOYSA-N 2 0 333.501 2.031 10 30 EEEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001490681060 1291562960 /nfs/dbraw/zinc/56/29/60/1291562960.db2.gz KGVIBIUSRSAPTD-CVEARBPZSA-N 2 0 327.900 2.344 10 30 EEEERP COCC#CC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604038 1293578950 /nfs/dbraw/zinc/57/89/50/1293578950.db2.gz RXGSQYQQBGXLMI-IBGZPJMESA-N 2 0 331.460 2.025 10 30 EEEERP C=CCCCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001276813586 1298412000 /nfs/dbraw/zinc/41/20/00/1298412000.db2.gz PJIBJKMVCLTTSN-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001491558148 1303520146 /nfs/dbraw/zinc/52/01/46/1303520146.db2.gz IWCTVVKLLARZRY-GJZGRUSLSA-N 2 0 348.516 2.336 10 30 EEEERP C#CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCCC=C)CC1 ZINC001278151685 1306113138 /nfs/dbraw/zinc/11/31/38/1306113138.db2.gz STKQATPXLHWKJP-HXUWFJFHSA-N 2 0 343.515 2.221 10 30 EEEERP CC#CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001279079048 1319191672 /nfs/dbraw/zinc/19/16/72/1319191672.db2.gz DHGDDVXXXZOGKK-QGZVFWFLSA-N 2 0 333.520 2.491 10 30 EEEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001263919214 1322554051 /nfs/dbraw/zinc/55/40/51/1322554051.db2.gz KGLXNBWFJHSNBU-VQTJNVASSA-N 2 0 341.499 2.059 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1OCC ZINC001263975738 1322574767 /nfs/dbraw/zinc/57/47/67/1322574767.db2.gz OMEVVSBMEXUQOI-RTBURBONSA-N 2 0 345.487 2.001 10 30 EEEERP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001265918842 1323484978 /nfs/dbraw/zinc/48/49/78/1323484978.db2.gz UGTNUUURYDUYLZ-HNNXBMFYSA-N 2 0 325.416 2.038 10 30 EEEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001266102913 1323668061 /nfs/dbraw/zinc/66/80/61/1323668061.db2.gz NIWQANQKIYUOQF-RTBURBONSA-N 2 0 331.504 2.340 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001281881018 1325497966 /nfs/dbraw/zinc/49/79/66/1325497966.db2.gz DKQVOSRSLQDFPO-QFBILLFUSA-N 2 0 337.483 2.193 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001281967520 1325541297 /nfs/dbraw/zinc/54/12/97/1325541297.db2.gz HUNDBVNCUGAQRX-MOPGFXCFSA-N 2 0 333.520 2.443 10 30 EEEERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001283702982 1326210205 /nfs/dbraw/zinc/21/02/05/1326210205.db2.gz PPNFOHUDVDLICZ-QAPCUYQASA-N 2 0 349.906 2.468 10 30 EEEERP C=CC[NH2+]C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)(C)C ZINC001284610763 1326629883 /nfs/dbraw/zinc/62/98/83/1326629883.db2.gz ZSNVSOMEHYUAOK-MRXNPFEDSA-N 2 0 327.432 2.187 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCC2CC2)CC1 ZINC001317199402 1332127840 /nfs/dbraw/zinc/12/78/40/1332127840.db2.gz KMLXPRBCQHTMMU-IBGZPJMESA-N 2 0 331.504 2.102 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001319697167 1332745115 /nfs/dbraw/zinc/74/51/15/1332745115.db2.gz RWXDQTPPWOICRZ-YLJYHZDGSA-N 2 0 341.499 2.254 10 30 EEEERP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320550506 1332908270 /nfs/dbraw/zinc/90/82/70/1332908270.db2.gz XOJFSNFHMOYPES-HUUCEWRRSA-N 2 0 346.450 2.024 10 30 EEEERP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001324645193 1333730033 /nfs/dbraw/zinc/73/00/33/1333730033.db2.gz BPKZVWFRSDLISX-MSOLQXFVSA-N 2 0 325.472 2.356 10 30 EEEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001324786822 1333760026 /nfs/dbraw/zinc/76/00/26/1333760026.db2.gz AZBAGRFSBFRKPC-NRFANRHFSA-N 2 0 341.499 2.012 10 30 EEEERP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001325054768 1333819721 /nfs/dbraw/zinc/81/97/21/1333819721.db2.gz PPRQXSRTXUILHC-HOTGVXAUSA-N 2 0 343.462 2.368 10 30 EEEERP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001325945833 1334003818 /nfs/dbraw/zinc/00/38/18/1334003818.db2.gz JWXXFNQRCZPCSX-RBUKOAKNSA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001327501006 1334302858 /nfs/dbraw/zinc/30/28/58/1334302858.db2.gz UDSWUWPQWSZXSE-IBGZPJMESA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001328017574 1334379283 /nfs/dbraw/zinc/37/92/83/1334379283.db2.gz MHDYGKMONIMBSE-IBGZPJMESA-N 2 0 337.483 2.193 10 30 EEEERP C#CC[N@H+](CC[C@@H]1CCOC1)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001330719883 1334890936 /nfs/dbraw/zinc/89/09/36/1334890936.db2.gz FXSQKVFLUKBWCQ-RBUKOAKNSA-N 2 0 334.504 2.239 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001332138583 1335739986 /nfs/dbraw/zinc/73/99/86/1335739986.db2.gz ATQNUMDOFLKIMI-GBESFXJTSA-N 2 0 345.531 2.491 10 30 EEEERP C=CCn1c(CN2CCCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001339084093 1336956395 /nfs/dbraw/zinc/95/63/95/1336956395.db2.gz YKEHKBUCKUNMMP-UHFFFAOYSA-N 2 0 346.523 2.371 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)CC1 ZINC001357158637 1338967804 /nfs/dbraw/zinc/96/78/04/1338967804.db2.gz CGBYMGAMFUODNP-JZXOWHBKSA-N 2 0 334.508 2.009 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001502546148 1342208749 /nfs/dbraw/zinc/20/87/49/1342208749.db2.gz PGIXPTYLIJYQKN-KRWDZBQOSA-N 2 0 327.900 2.395 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CC2)C2CCCC2)CC1 ZINC001569614104 1342908930 /nfs/dbraw/zinc/90/89/30/1342908930.db2.gz MSAOZEPVKIGMPD-IBGZPJMESA-N 2 0 331.504 2.006 10 30 EEEERP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001570660859 1343098262 /nfs/dbraw/zinc/09/82/62/1343098262.db2.gz ANCNPQXMJTUOKA-CTWPCTMYSA-N 2 0 333.520 2.489 10 30 EEEERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001676355107 1357139831 /nfs/dbraw/zinc/13/98/31/1357139831.db2.gz HAAZBFLIYDTOHC-PKOBYXMFSA-N 2 0 347.478 2.155 10 30 EEEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@@H]1C ZINC001676669932 1357178426 /nfs/dbraw/zinc/17/84/26/1357178426.db2.gz ZCUJZVCCIJIJMG-IEBWSBKVSA-N 2 0 329.488 2.316 10 30 EEEERP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001676784489 1357199778 /nfs/dbraw/zinc/19/97/78/1357199778.db2.gz VZJRFGVDMVMCKU-HZPDHXFCSA-N 2 0 331.460 2.337 10 30 EEEERP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001677621446 1357375020 /nfs/dbraw/zinc/37/50/20/1357375020.db2.gz QNCZFDAQEOUUIP-RTBURBONSA-N 2 0 349.519 2.058 10 30 EEEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2cnccc2OC)C1 ZINC001656895459 1354295935 /nfs/dbraw/zinc/29/59/35/1354295935.db2.gz ZFPRJRKZDSPAGJ-QGZVFWFLSA-N 2 0 329.444 2.017 10 30 EEEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCN1CCOCC1 ZINC001660464777 1354468560 /nfs/dbraw/zinc/46/85/60/1354468560.db2.gz LVHXHDSDRDOZFC-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001664309393 1355136276 /nfs/dbraw/zinc/13/62/76/1355136276.db2.gz ONPZPXUQZYJWSJ-VQTJNVASSA-N 2 0 341.499 2.207 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001665765873 1355384399 /nfs/dbraw/zinc/38/43/99/1355384399.db2.gz PHHSHXIIFOOAGD-ZWKOTPCHSA-N 2 0 347.890 2.270 10 30 EEEERP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)O2 ZINC001673541595 1355734659 /nfs/dbraw/zinc/73/46/59/1355734659.db2.gz BDOKGXDABYCMQG-SFHVURJKSA-N 2 0 349.519 2.034 10 30 EEEERP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCC1 ZINC001673230706 1356655876 /nfs/dbraw/zinc/65/58/76/1356655876.db2.gz WURIOSNSGVMZCZ-UHFFFAOYSA-N 2 0 327.472 2.008 10 30 EEEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001674352730 1356823338 /nfs/dbraw/zinc/82/33/38/1356823338.db2.gz HWEFXCHIBCVPOG-ROUUACIJSA-N 2 0 333.520 2.443 10 30 EEEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001698717648 1405021841 /nfs/dbraw/zinc/02/18/41/1405021841.db2.gz IVOYVYSMVXCZAG-IBGZPJMESA-N 2 0 327.472 2.310 10 30 EEEERP C#CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)C1CC[NH+](C)CC1 ZINC000921150234 770983353 /nfs/dbraw/zinc/98/33/53/770983353.db2.gz GOEAEKNSXBQAOE-UHFFFAOYSA-N 2 0 336.524 2.234 10 30 EEEERP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857717 779445373 /nfs/dbraw/zinc/44/53/73/779445373.db2.gz BNJYRWOJYXTXNW-ROUUACIJSA-N 2 0 333.520 2.347 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000907451520 784655991 /nfs/dbraw/zinc/65/59/91/784655991.db2.gz DAXYNSIICZYFFJ-UHFFFAOYSA-N 2 0 330.476 2.275 10 30 EEEERP C#CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000923294639 789326576 /nfs/dbraw/zinc/32/65/76/789326576.db2.gz KZFTZOUIZHQVFL-QGZVFWFLSA-N 2 0 346.519 2.132 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001437163548 1089177725 /nfs/dbraw/zinc/17/77/25/1089177725.db2.gz NAXYLGCVDPDIGU-KGLIPLIRSA-N 2 0 346.313 2.110 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001440324019 1093465243 /nfs/dbraw/zinc/46/52/43/1093465243.db2.gz YUWYTGJEAXDACZ-WOVMCDHWSA-N 2 0 346.450 2.022 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001449058862 1094074510 /nfs/dbraw/zinc/07/45/10/1094074510.db2.gz NPRSYIWVJSINCJ-NVXWUHKLSA-N 2 0 346.450 2.024 10 30 EEEERP CCCC[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441144601 1094481879 /nfs/dbraw/zinc/48/18/79/1094481879.db2.gz ZQFLXCSCRYTONO-GJZGRUSLSA-N 2 0 348.516 2.336 10 30 EEEERP C=C(Cl)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001441341559 1094838604 /nfs/dbraw/zinc/83/86/04/1094838604.db2.gz PTWDPCLZRYWBKA-HRCADAONSA-N 2 0 327.900 2.297 10 30 EEEERP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001479501517 1098568627 /nfs/dbraw/zinc/56/86/27/1098568627.db2.gz CWVSJSINZATFEU-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC001498197697 1107063524 /nfs/dbraw/zinc/06/35/24/1107063524.db2.gz UUXQRUFOEWJFAD-KSSFIOAISA-N 2 0 346.450 2.166 10 30 EEEERP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001480789897 1107120432 /nfs/dbraw/zinc/12/04/32/1107120432.db2.gz IRKGCXYQKIYGMK-IEBWSBKVSA-N 2 0 329.488 2.109 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001480832669 1107228262 /nfs/dbraw/zinc/22/82/62/1107228262.db2.gz DRUXGCVMLIMYQZ-HXUWFJFHSA-N 2 0 345.531 2.493 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1CC ZINC001498889430 1108283355 /nfs/dbraw/zinc/28/33/55/1108283355.db2.gz LJBJPZIMZXQODB-LPHOPBHVSA-N 2 0 338.455 2.496 10 30 EEEERP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001500054355 1112595131 /nfs/dbraw/zinc/59/51/31/1112595131.db2.gz NGIMRIUJLVZZMP-IAGOWNOFSA-N 2 0 337.483 2.003 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001501617890 1113401425 /nfs/dbraw/zinc/40/14/25/1113401425.db2.gz GJELXLAVMJKWKH-LPHOPBHVSA-N 2 0 337.483 2.050 10 30 EEEERP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001506741618 1114853551 /nfs/dbraw/zinc/85/35/51/1114853551.db2.gz IJHPMJPBNLMNCY-JKSUJKDBSA-N 2 0 327.488 2.459 10 30 EEEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001507101285 1115108808 /nfs/dbraw/zinc/10/88/08/1115108808.db2.gz RFDGONFUPJPPBI-HNNXBMFYSA-N 2 0 327.432 2.284 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCc2cccs2)CC1 ZINC001507161812 1115141756 /nfs/dbraw/zinc/14/17/56/1115141756.db2.gz MVVZCODTHNAMIS-MRXNPFEDSA-N 2 0 347.528 2.072 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568754738 1124769010 /nfs/dbraw/zinc/76/90/10/1124769010.db2.gz YBNCLQGLSMYVSR-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001569013784 1125041174 /nfs/dbraw/zinc/04/11/74/1125041174.db2.gz BABLZEWKRDLRQM-OAHLLOKOSA-N 2 0 347.890 2.128 10 30 EEEERP COc1cc(C#N)ccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179659059 533495096 /nfs/dbraw/zinc/49/50/96/533495096.db2.gz YOWCMPTZMYYGGH-OAHLLOKOSA-N 2 0 331.460 2.091 10 30 EEEERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sccc1C#N ZINC000101518379 279329527 /nfs/dbraw/zinc/32/95/27/279329527.db2.gz INHGFQDUNHHGNV-HNNXBMFYSA-N 2 0 334.489 2.108 10 30 EEEERP CC[C@H](C)[NH+]=C(NCc1ccccc1)NC[C@@H]1CC[N@H+](CCOC)C1 ZINC000072271833 463492399 /nfs/dbraw/zinc/49/23/99/463492399.db2.gz CHPYBNWEEVYJKO-HKUYNNGSSA-N 2 0 346.519 2.489 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527729859 467664472 /nfs/dbraw/zinc/66/44/72/467664472.db2.gz MOCOABCMISFQEX-GOSISDBHSA-N 2 0 334.508 2.343 10 30 EEEERP N#CC1(C[C@@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000528482281 467685371 /nfs/dbraw/zinc/68/53/71/467685371.db2.gz CHWLVPNMKIEERL-CEXWTWQISA-N 2 0 325.456 2.105 10 30 EEEERP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600718507 468633280 /nfs/dbraw/zinc/63/32/80/468633280.db2.gz XWUDDPLXQBWART-QZTJIDSGSA-N 2 0 337.508 2.302 10 30 EEEERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000596655320 469324093 /nfs/dbraw/zinc/32/40/93/469324093.db2.gz UVQNWLLHZYDQRM-CQSZACIVSA-N 2 0 346.450 2.339 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C(C)C ZINC000669385708 471471473 /nfs/dbraw/zinc/47/14/73/471471473.db2.gz PEJSJRSXALMHOL-QUCCMNQESA-N 2 0 348.535 2.470 10 30 EEEERP C#CC1(O)CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000895383494 684567401 /nfs/dbraw/zinc/56/74/01/684567401.db2.gz WQZZQXKAAQGXCY-UHFFFAOYSA-N 2 0 341.499 2.177 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000899970283 693947427 /nfs/dbraw/zinc/94/74/27/693947427.db2.gz VRDCXYZSGUFQLM-LJQANCHMSA-N 2 0 345.487 2.456 10 30 EEEERP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001266247171 1176019668 /nfs/dbraw/zinc/01/96/68/1176019668.db2.gz FDXWAQXGLWSRKC-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCCCF)C2)CC1 ZINC001266252154 1176029265 /nfs/dbraw/zinc/02/92/65/1176029265.db2.gz NYLUMVUTNBYALA-GOSISDBHSA-N 2 0 337.483 2.052 10 30 EEEERP C#CCC[NH+]1CCC(N(CCC)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001266390341 1176463640 /nfs/dbraw/zinc/46/36/40/1176463640.db2.gz UNBIBEBMHWJJIS-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCCCF)CC1 ZINC001691075239 1177528807 /nfs/dbraw/zinc/52/88/07/1177528807.db2.gz QJIJMGLNIUYPLM-SFHVURJKSA-N 2 0 337.483 2.004 10 30 EEEERP C#CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001691308924 1177879628 /nfs/dbraw/zinc/87/96/28/1177879628.db2.gz IRFBUHWJIAFLMA-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001691373625 1177979372 /nfs/dbraw/zinc/97/93/72/1177979372.db2.gz BZFJTSKHRDJRNC-IBGZPJMESA-N 2 0 342.487 2.227 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001266993721 1178052062 /nfs/dbraw/zinc/05/20/62/1178052062.db2.gz DMMWWTPBERTECA-INIZCTEOSA-N 2 0 345.462 2.096 10 30 EEEERP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCCn1ccnc1C ZINC001268192430 1181985781 /nfs/dbraw/zinc/98/57/81/1181985781.db2.gz ONMCZSYJIJRBQR-SJLPKXTDSA-N 2 0 330.476 2.212 10 30 EEEERP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCCn1ccnc1C ZINC001268192431 1181985902 /nfs/dbraw/zinc/98/59/02/1181985902.db2.gz ONMCZSYJIJRBQR-WMZOPIPTSA-N 2 0 330.476 2.212 10 30 EEEERP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001482020311 1183145379 /nfs/dbraw/zinc/14/53/79/1183145379.db2.gz MEBHHZVMAUHXDU-QAQDUYKDSA-N 2 0 337.508 2.080 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001482172473 1183500233 /nfs/dbraw/zinc/50/02/33/1183500233.db2.gz UQDBORKQYDRNMT-MRXNPFEDSA-N 2 0 333.520 2.110 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001268630918 1183556294 /nfs/dbraw/zinc/55/62/94/1183556294.db2.gz SMLLBVJYBWPUPS-PXPVJAHISA-N 2 0 340.471 2.195 10 30 EEEERP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001269472244 1184292146 /nfs/dbraw/zinc/29/21/46/1184292146.db2.gz YFQYFLMIHBPSRF-QRVBRYPASA-N 2 0 329.488 2.392 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](CCC2CC2)CC1 ZINC001270338987 1185029692 /nfs/dbraw/zinc/02/96/92/1185029692.db2.gz YEARMLGQNXTHRE-HKUYNNGSSA-N 2 0 345.531 2.443 10 30 EEEERP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001482509373 1186427209 /nfs/dbraw/zinc/42/72/09/1186427209.db2.gz VCRHDKUOQSZETL-LJQANCHMSA-N 2 0 333.520 2.445 10 30 EEEERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001409427609 1189661782 /nfs/dbraw/zinc/66/17/82/1189661782.db2.gz XYKXXHCAFSQBRI-KBPBESRZSA-N 2 0 346.450 2.022 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCCCF)C[C@@H]2C)CC1 ZINC001486135549 1193691229 /nfs/dbraw/zinc/69/12/29/1193691229.db2.gz PZEHIJKJIVAJCP-WMZOPIPTSA-N 2 0 337.483 2.050 10 30 EEEERP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001483975126 1191138045 /nfs/dbraw/zinc/13/80/45/1191138045.db2.gz DOPGBNQRXGZZRH-UHFFFAOYSA-N 2 0 340.471 2.125 10 30 EEEERP C#CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC=C(C)C)CC1 ZINC001483984154 1191142067 /nfs/dbraw/zinc/14/20/67/1191142067.db2.gz KPLILFUGMJCJQX-FQEVSTJZSA-N 2 0 343.515 2.221 10 30 EEEERP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001484554499 1191412686 /nfs/dbraw/zinc/41/26/86/1191412686.db2.gz XWRVVUPYOPPFIJ-VQTJNVASSA-N 2 0 341.499 2.488 10 30 EEEERP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)O2 ZINC001484790027 1191526741 /nfs/dbraw/zinc/52/67/41/1191526741.db2.gz JLPGEABOZUTGFQ-ROUUACIJSA-N 2 0 349.519 2.033 10 30 EEEERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001485108582 1191657098 /nfs/dbraw/zinc/65/70/98/1191657098.db2.gz NWZWPVUOIQEJAX-UHFFFAOYSA-N 2 0 345.462 2.003 10 30 EEEERP C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001493969299 1191791363 /nfs/dbraw/zinc/79/13/63/1191791363.db2.gz YZFURXUXGMIXTC-GDBMZVCRSA-N 2 0 327.900 2.394 10 30 EEEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001691682292 1197488152 /nfs/dbraw/zinc/48/81/52/1197488152.db2.gz HNCGFWFDXVGFMD-PKOBYXMFSA-N 2 0 333.520 2.489 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000876741335 1199750600 /nfs/dbraw/zinc/75/06/00/1199750600.db2.gz QMUWJAXZAMDKPY-IRXDYDNUSA-N 2 0 335.879 2.137 10 30 EEEERP C=CCCC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000880388159 1201476421 /nfs/dbraw/zinc/47/64/21/1201476421.db2.gz ISLFWHPXOILECQ-UXHICEINSA-N 2 0 331.504 2.282 10 30 EEEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCOCC1 ZINC001273980191 1202185438 /nfs/dbraw/zinc/18/54/38/1202185438.db2.gz VPKYSHYCTSTWLX-ZWKOTPCHSA-N 2 0 349.519 2.225 10 30 EEEERP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001280593289 1205210987 /nfs/dbraw/zinc/21/09/87/1205210987.db2.gz AECXPRWGUQIOGS-ZWKOTPCHSA-N 2 0 339.524 2.258 10 30 EEEERP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)CC[NH2+]CC1 ZINC000925838716 1206158757 /nfs/dbraw/zinc/15/87/57/1206158757.db2.gz NOCFKQPGQYFZAK-HNNXBMFYSA-N 2 0 329.444 2.278 10 30 EEEERP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC[C@H]2CCCO2)[C@@H]1c1cccs1 ZINC000246695470 1213005060 /nfs/dbraw/zinc/00/50/60/1213005060.db2.gz ZAXDCZXMMUHXJA-IIAWOOMASA-N 2 0 336.505 2.214 10 30 EEEERP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852883068 1292223984 /nfs/dbraw/zinc/22/39/84/1292223984.db2.gz FUZDKOITULHULA-UHFFFAOYSA-N 2 0 347.890 2.233 10 30 EEEERP O=C(C#CC1CC[NH2+]CC1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000852885796 1292225260 /nfs/dbraw/zinc/22/52/60/1292225260.db2.gz UPVHYUSIRCQSMV-UHFFFAOYSA-N 2 0 325.456 2.266 10 30 EEEERP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000859213540 1294351169 /nfs/dbraw/zinc/35/11/69/1294351169.db2.gz PMQOOLJZVFEPKT-LJQANCHMSA-N 2 0 345.487 2.251 10 30 EEEERP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001491111437 1299599750 /nfs/dbraw/zinc/59/97/50/1299599750.db2.gz OQDDKEPRIGTTDH-WOJBJXKFSA-N 2 0 341.499 2.207 10 30 EEEERP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001276862574 1299973863 /nfs/dbraw/zinc/97/38/63/1299973863.db2.gz NWAMJRVZVNWVJZ-MRXNPFEDSA-N 2 0 325.472 2.167 10 30 EEEERP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N(C)CC[NH+]1CCCCC1 ZINC001262970418 1322410782 /nfs/dbraw/zinc/41/07/82/1322410782.db2.gz IYHBBOQNZQHCKZ-QGZVFWFLSA-N 2 0 346.523 2.195 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001264032032 1322592515 /nfs/dbraw/zinc/59/25/15/1322592515.db2.gz GHJLJXVFJNGRIK-NEWSRXKRSA-N 2 0 333.520 2.347 10 30 EEEERP C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001264596310 1322745995 /nfs/dbraw/zinc/74/59/95/1322745995.db2.gz PZXGFFQGZLCHBF-RTBURBONSA-N 2 0 345.462 2.075 10 30 EEEERP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001265870575 1323443726 /nfs/dbraw/zinc/44/37/26/1323443726.db2.gz SAMDWXNFNQAZKR-KRWDZBQOSA-N 2 0 345.462 2.148 10 30 EEEERP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001265919058 1323484860 /nfs/dbraw/zinc/48/48/60/1323484860.db2.gz CAWASSXLDRUKQM-GOSISDBHSA-N 2 0 330.476 2.083 10 30 EEEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001266067764 1323622303 /nfs/dbraw/zinc/62/23/03/1323622303.db2.gz NKGGVAWKIYUPNL-VQTJNVASSA-N 2 0 341.499 2.445 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001491682533 1330204210 /nfs/dbraw/zinc/20/42/10/1330204210.db2.gz MRVGVQSEFXEAQR-CJNGLKHVSA-N 2 0 334.489 2.088 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001491858410 1330276450 /nfs/dbraw/zinc/27/64/50/1330276450.db2.gz HSQJWPJEMQXHOP-MRXNPFEDSA-N 2 0 331.460 2.196 10 30 EEEERP C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1cccc(C#N)c1 ZINC001492450812 1331262986 /nfs/dbraw/zinc/26/29/86/1331262986.db2.gz ZNXWMNXGNORCKG-RTBURBONSA-N 2 0 340.471 2.123 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001317720979 1332388033 /nfs/dbraw/zinc/38/80/33/1332388033.db2.gz QDASXVJHJPROQE-OALUTQOASA-N 2 0 327.472 2.331 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001318300965 1332505236 /nfs/dbraw/zinc/50/52/36/1332505236.db2.gz IIVQGDOTCDGSKS-MJGOQNOKSA-N 2 0 333.520 2.204 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001318608875 1332567601 /nfs/dbraw/zinc/56/76/01/1332567601.db2.gz ZFQDUWJDRLRGCT-IBGZPJMESA-N 2 0 345.531 2.396 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001320189373 1332846356 /nfs/dbraw/zinc/84/63/56/1332846356.db2.gz PLCXCAUBUFQHFP-DOTOQJQBSA-N 2 0 331.460 2.243 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001321098559 1333019934 /nfs/dbraw/zinc/01/99/34/1333019934.db2.gz WQBZULVYIZIUIV-XYBNCVKDSA-N 2 0 346.500 2.256 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001322352476 1333251916 /nfs/dbraw/zinc/25/19/16/1333251916.db2.gz ASOYNPVCDRTIKA-UXHICEINSA-N 2 0 341.499 2.254 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001322554677 1333282281 /nfs/dbraw/zinc/28/22/81/1333282281.db2.gz INXFEIHYJAJHHI-SFHVURJKSA-N 2 0 330.476 2.083 10 30 EEEERP CC#CCN1Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2C1 ZINC001327684933 1334333935 /nfs/dbraw/zinc/33/39/35/1334333935.db2.gz JQCABZWVOKTYRW-UHFFFAOYSA-N 2 0 325.456 2.126 10 30 EEEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001332007082 1335703410 /nfs/dbraw/zinc/70/34/10/1335703410.db2.gz HCDHXBYJMGEWBO-LSDHHAIUSA-N 2 0 325.416 2.036 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001563454018 1342544974 /nfs/dbraw/zinc/54/49/74/1342544974.db2.gz WXFXMPIUICKAGN-KSZLIROESA-N 2 0 336.524 2.419 10 30 EEEERP CC[C@H](C(=O)NC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1)[NH+](C)C ZINC001566713778 1342611181 /nfs/dbraw/zinc/61/11/81/1342611181.db2.gz COCCNPAIAZWGFW-RBUKOAKNSA-N 2 0 345.462 2.002 10 30 EEEERP CC#CC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001567746948 1342833264 /nfs/dbraw/zinc/83/32/64/1342833264.db2.gz RSZVRQFQBTZLFE-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001569528758 1342893151 /nfs/dbraw/zinc/89/31/51/1342893151.db2.gz YHPQVXIFQDKJBF-LPHOPBHVSA-N 2 0 327.472 2.354 10 30 EEEERP CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001676088833 1357103398 /nfs/dbraw/zinc/10/33/98/1357103398.db2.gz DZVAJWYOPMXUGM-UHFFFAOYSA-N 2 0 341.499 2.360 10 30 EEEERP C#CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001570271851 1343045718 /nfs/dbraw/zinc/04/57/18/1343045718.db2.gz PNOXKWFGZWORCG-FQEVSTJZSA-N 2 0 341.499 2.285 10 30 EEEERP C=CC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001677376623 1357324576 /nfs/dbraw/zinc/32/45/76/1357324576.db2.gz XRXMUDOTPWZIIA-KBPBESRZSA-N 2 0 335.414 2.273 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001660466065 1354469106 /nfs/dbraw/zinc/46/91/06/1354469106.db2.gz PWKYDFGGJFZXLV-PXNSSMCTSA-N 2 0 341.499 2.397 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]C/C=C/Cl)CC1 ZINC001661972083 1354730430 /nfs/dbraw/zinc/73/04/30/1354730430.db2.gz NVYAMGKGMZVXDV-HFTQHKIXSA-N 2 0 337.895 2.055 10 30 EEEERP CC#CC[N@H+](CCC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001663684314 1355016574 /nfs/dbraw/zinc/01/65/74/1355016574.db2.gz WHPVDKWYMOINTN-UXHICEINSA-N 2 0 341.499 2.183 10 30 EEEERP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC#Cc1ccccc1 ZINC001665866880 1355401791 /nfs/dbraw/zinc/40/17/91/1355401791.db2.gz MEFNMQYDGFGDHH-FQEVSTJZSA-N 2 0 341.499 2.254 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001668059192 1355858338 /nfs/dbraw/zinc/85/83/38/1355858338.db2.gz BSURSCDBZAHGLE-LPHOPBHVSA-N 2 0 342.487 2.415 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001672806597 1356589106 /nfs/dbraw/zinc/58/91/06/1356589106.db2.gz YRNBBDPCSPRMRY-HKUYNNGSSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[NH+]1CCc2c(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001673080006 1356644384 /nfs/dbraw/zinc/64/43/84/1356644384.db2.gz XGWZULDNPMSTAQ-KRWDZBQOSA-N 2 0 339.483 2.026 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001698845830 1405104422 /nfs/dbraw/zinc/10/44/22/1405104422.db2.gz PJUDAGFUBBWQLE-SFHVURJKSA-N 2 0 343.515 2.453 10 30 EEEERP C#CCN(C(=O)NCCCCC[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000919650542 770144240 /nfs/dbraw/zinc/14/42/40/770144240.db2.gz BKFGVLCSSDSNPP-UHFFFAOYSA-N 2 0 348.535 2.382 10 30 EEEERP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001436970556 1088662949 /nfs/dbraw/zinc/66/29/49/1088662949.db2.gz ZHBZJZOXPLGNPE-HZSPNIEDSA-N 2 0 346.313 2.252 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437321081 1089482995 /nfs/dbraw/zinc/48/29/95/1089482995.db2.gz IZGNOQUESIXUCL-RTBURBONSA-N 2 0 342.487 2.415 10 30 EEEERP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001438445567 1090949580 /nfs/dbraw/zinc/94/95/80/1090949580.db2.gz FVNTWANGBWMOCG-UHFFFAOYSA-N 2 0 333.863 2.241 10 30 EEEERP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001445496502 1091272939 /nfs/dbraw/zinc/27/29/39/1091272939.db2.gz GGOCGHJENDAQEK-KGLIPLIRSA-N 2 0 346.313 2.110 10 30 EEEERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001440660612 1093930629 /nfs/dbraw/zinc/93/06/29/1093930629.db2.gz BQLLSFBILBFZOS-KBXCAEBGSA-N 2 0 346.450 2.166 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001480085544 1099640357 /nfs/dbraw/zinc/64/03/57/1099640357.db2.gz QPZWCKJBNCSLCT-RTBURBONSA-N 2 0 333.520 2.443 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001496272480 1100851016 /nfs/dbraw/zinc/85/10/16/1100851016.db2.gz PYCISOPMBCPJQZ-CVEARBPZSA-N 2 0 327.900 2.201 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CCCC)CC1 ZINC001496431889 1101023723 /nfs/dbraw/zinc/02/37/23/1101023723.db2.gz XLMNCEBGEWCEDL-LJQANCHMSA-N 2 0 333.520 2.493 10 30 EEEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001495415697 1101135477 /nfs/dbraw/zinc/13/54/77/1101135477.db2.gz NPZNKOUDVAVSJL-GDBMZVCRSA-N 2 0 327.900 2.297 10 30 EEEERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001448041521 1103873274 /nfs/dbraw/zinc/87/32/74/1103873274.db2.gz KWPLTLYXGJYRKR-CQSZACIVSA-N 2 0 346.450 2.118 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001494876486 1104487310 /nfs/dbraw/zinc/48/73/10/1104487310.db2.gz PQFLYQTYUQVWFF-GOSISDBHSA-N 2 0 337.483 2.004 10 30 EEEERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001493255316 1107783680 /nfs/dbraw/zinc/78/36/80/1107783680.db2.gz RCGNUJQQGMMIIX-OAHLLOKOSA-N 2 0 348.516 2.290 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001501053475 1113182183 /nfs/dbraw/zinc/18/21/83/1113182183.db2.gz IQSAWQDTNXUKMF-DLBZAZTESA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001501699023 1113440543 /nfs/dbraw/zinc/44/05/43/1113440543.db2.gz XECLOJMDMOMIRT-ZHALLVOQSA-N 2 0 331.504 2.291 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001501720252 1113448899 /nfs/dbraw/zinc/44/88/99/1113448899.db2.gz FFJWEJQIZBKSKK-BQFCYCMXSA-N 2 0 339.911 2.489 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001506722365 1114832527 /nfs/dbraw/zinc/83/25/27/1114832527.db2.gz OSKMABXKKVXTBI-PKOBYXMFSA-N 2 0 349.519 2.129 10 30 EEEERP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001506938239 1114987842 /nfs/dbraw/zinc/98/78/42/1114987842.db2.gz NXVDMPLGIDNUHV-OALUTQOASA-N 2 0 341.499 2.254 10 30 EEEERP CC#CC[N@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001506965164 1115014816 /nfs/dbraw/zinc/01/48/16/1115014816.db2.gz BGCYLYDLCRAPHP-UHFFFAOYSA-N 2 0 331.504 2.055 10 30 EEEERP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001507453902 1115278857 /nfs/dbraw/zinc/27/88/57/1115278857.db2.gz QAMUGOZUQBSNAF-ZWKOTPCHSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001568087649 1124291213 /nfs/dbraw/zinc/29/12/13/1124291213.db2.gz ISUMDBICAFKYMP-LJQANCHMSA-N 2 0 331.504 2.245 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001569030594 1125053096 /nfs/dbraw/zinc/05/30/96/1125053096.db2.gz WFCPBGQHPVJWFG-WBVHZDCISA-N 2 0 347.890 2.128 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001569167465 1125141339 /nfs/dbraw/zinc/14/13/39/1125141339.db2.gz BXQFUBFUWIJIQH-RBUKOAKNSA-N 2 0 333.520 2.395 10 30 EEEERP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352843116 162308040 /nfs/dbraw/zinc/30/80/40/162308040.db2.gz XOXSPPJIHYNYGD-UHFFFAOYSA-N 2 0 330.457 2.287 10 30 EEEERP C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)cc1F ZINC000358564922 465195317 /nfs/dbraw/zinc/19/53/17/465195317.db2.gz YHRURONZUWASIA-KDOFPFPSSA-N 2 0 346.450 2.291 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000171686874 463906360 /nfs/dbraw/zinc/90/63/60/463906360.db2.gz ZHMIBLWFJAGLJS-GOSISDBHSA-N 2 0 334.508 2.297 10 30 EEEERP CCc1nn(C)c(CC)c1CNC(N[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)=[NH+]C ZINC000252511585 464976742 /nfs/dbraw/zinc/97/67/42/464976742.db2.gz IHVUJGYYZRBLRL-LSDHHAIUSA-N 2 0 348.539 2.083 10 30 EEEERP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594443305 468590522 /nfs/dbraw/zinc/59/05/22/468590522.db2.gz CNDPIEAQXVWDJZ-ZWKOTPCHSA-N 2 0 328.460 2.133 10 30 EEEERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594948296 468729421 /nfs/dbraw/zinc/72/94/21/468729421.db2.gz ZABFNAMYDWHHJG-QGZVFWFLSA-N 2 0 326.488 2.357 10 30 EEEERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000596652789 469322871 /nfs/dbraw/zinc/32/28/71/469322871.db2.gz HWXKGWMRLIDLRR-AWEZNQCLSA-N 2 0 346.450 2.339 10 30 EEEERP C=CC[C@@]1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662658100 472189699 /nfs/dbraw/zinc/18/96/99/472189699.db2.gz BFMXFGNWBZRJQZ-FQEVSTJZSA-N 2 0 327.472 2.466 10 30 EEEERP C=CC[C@@]1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662701976 472215312 /nfs/dbraw/zinc/21/53/12/472215312.db2.gz VVDRUJBKHDNFAB-CTNGQTDRSA-N 2 0 341.499 2.366 10 30 EEEERP C=CC[C@@]1(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCC[NH2+]1 ZINC000662749744 472233387 /nfs/dbraw/zinc/23/33/87/472233387.db2.gz PPZIOYLPJWMKQC-FQEVSTJZSA-N 2 0 349.519 2.084 10 30 EEEERP CC[NH+]=C(NCCc1c(C)noc1C)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000097013725 528806309 /nfs/dbraw/zinc/80/63/09/528806309.db2.gz QZPVGWPHLNGPDL-INIZCTEOSA-N 2 0 347.507 2.406 10 30 EEEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N(C)Cc1cc(Cl)cn1C ZINC000261958545 676694735 /nfs/dbraw/zinc/69/47/35/676694735.db2.gz JLCJSPCCPLGZAX-AWEZNQCLSA-N 2 0 325.888 2.170 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485748158 1191930402 /nfs/dbraw/zinc/93/04/02/1191930402.db2.gz KVXYWXDMSCCSGC-GOEBONIOSA-N 2 0 346.450 2.024 10 30 EEEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001272701585 1191961426 /nfs/dbraw/zinc/96/14/26/1191961426.db2.gz XCCJSWMCVHAHJB-AEFFLSMTSA-N 2 0 327.472 2.319 10 30 EEEERP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266891845 1177729012 /nfs/dbraw/zinc/72/90/12/1177729012.db2.gz RQCULUFKPZULOY-ROUUACIJSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC/C=C\CCC)C[C@H]32)CC1 ZINC001266906125 1177772493 /nfs/dbraw/zinc/77/24/93/1177772493.db2.gz IIMKGTKGVXLYJM-FQHZCAMKSA-N 2 0 343.515 2.124 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267088159 1178213537 /nfs/dbraw/zinc/21/35/37/1178213537.db2.gz XUBVWAMBWHXDJP-PMACEKPBSA-N 2 0 341.499 2.397 10 30 EEEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001267489636 1179160942 /nfs/dbraw/zinc/16/09/42/1179160942.db2.gz WESDLFNSZBLPCK-OAHLLOKOSA-N 2 0 338.455 2.496 10 30 EEEERP C=CC[NH+]1CC2(C1)CCN(C(=O)CN(C)Cc1ccccc1)CC2 ZINC001268047551 1181560902 /nfs/dbraw/zinc/56/09/02/1181560902.db2.gz GMHBFFATVNZTEL-UHFFFAOYSA-N 2 0 327.472 2.229 10 30 EEEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001481494605 1181562514 /nfs/dbraw/zinc/56/25/14/1181562514.db2.gz VPWDVSKEDGIQRQ-MJGOQNOKSA-N 2 0 331.504 2.197 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268364710 1182336848 /nfs/dbraw/zinc/33/68/48/1182336848.db2.gz ACJBVJNNSWUZAY-GPMSIDNRSA-N 2 0 345.462 2.002 10 30 EEEERP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)C[N@@H+](C)CCC)CC1 ZINC001279327603 1182489148 /nfs/dbraw/zinc/48/91/48/1182489148.db2.gz KGZWQFJGOVIDMD-UHFFFAOYSA-N 2 0 344.503 2.402 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001268629947 1183554423 /nfs/dbraw/zinc/55/44/23/1183554423.db2.gz BDXOPANWKHXBFU-CHYADLBTSA-N 2 0 346.500 2.256 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1ccnc1C(C)C ZINC001268769992 1183688385 /nfs/dbraw/zinc/68/83/85/1183688385.db2.gz FBUKJJIZKLCLJH-IAGOWNOFSA-N 2 0 330.476 2.294 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001269645172 1184466267 /nfs/dbraw/zinc/46/62/67/1184466267.db2.gz LYUVSRIRXDNJAP-NRFANRHFSA-N 2 0 341.499 2.254 10 30 EEEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)ncc3C2)CCCC1 ZINC001270791676 1185391189 /nfs/dbraw/zinc/39/11/89/1185391189.db2.gz QCZLLXXUJPAMOX-INIZCTEOSA-N 2 0 330.476 2.349 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC=C(C)C)CC(C)C)CC1 ZINC001271316714 1186136271 /nfs/dbraw/zinc/13/62/71/1186136271.db2.gz ITWKLSZPHIKTOG-LJQANCHMSA-N 2 0 333.520 2.418 10 30 EEEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001485828111 1193479345 /nfs/dbraw/zinc/47/93/45/1193479345.db2.gz UMGWDPMGMFRXEG-CRAIPNDOSA-N 2 0 325.472 2.212 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001482686067 1187654604 /nfs/dbraw/zinc/65/46/04/1187654604.db2.gz ZANAKSSYMZXAKB-CVEARBPZSA-N 2 0 339.911 2.489 10 30 EEEERP CC[C@H](C(=O)NC/C=C/C[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001483024723 1188014358 /nfs/dbraw/zinc/01/43/58/1188014358.db2.gz XRBDKKIPDNRACI-DUMMIQTOSA-N 2 0 347.890 2.294 10 30 EEEERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001272474475 1190839945 /nfs/dbraw/zinc/83/99/45/1190839945.db2.gz HGYZPYLXCAUWMN-QFBILLFUSA-N 2 0 342.487 2.227 10 30 EEEERP CC#CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCCC1 ZINC001483813902 1191059074 /nfs/dbraw/zinc/05/90/74/1191059074.db2.gz LDUBXQKWWPZNJN-HXUWFJFHSA-N 2 0 345.531 2.493 10 30 EEEERP C#CCN(C(=O)CCC[NH+]1CCCCC1)C1CC[NH+](CC#CC)CC1 ZINC001483989431 1191144670 /nfs/dbraw/zinc/14/46/70/1191144670.db2.gz JKINULYAQOYPJK-UHFFFAOYSA-N 2 0 343.515 2.202 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001484522279 1191397124 /nfs/dbraw/zinc/39/71/24/1191397124.db2.gz GFGXADBRKRVCSZ-HZPDHXFCSA-N 2 0 327.900 2.442 10 30 EEEERP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCOCC1 ZINC001484864678 1191555104 /nfs/dbraw/zinc/55/51/04/1191555104.db2.gz KSPXZCJQRHFMJL-ROUUACIJSA-N 2 0 349.519 2.225 10 30 EEEERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC#Cc3ccccc3)CCC2)C1 ZINC001273154458 1197104010 /nfs/dbraw/zinc/10/40/10/1197104010.db2.gz OCZPLTOGPPSGBW-GOSISDBHSA-N 2 0 339.483 2.008 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCO1 ZINC001273308542 1198015432 /nfs/dbraw/zinc/01/54/32/1198015432.db2.gz LTCNKIFTCCRANX-MOPGFXCFSA-N 2 0 349.519 2.177 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001275542131 1205403490 /nfs/dbraw/zinc/40/34/90/1205403490.db2.gz RUKWEJJBWATNSE-SJORKVTESA-N 2 0 347.478 2.392 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)CC#Cc1ccccc1 ZINC001275574039 1205423414 /nfs/dbraw/zinc/42/34/14/1205423414.db2.gz MRDXZCGRXFVZIA-AZUAARDMSA-N 2 0 341.499 2.349 10 30 EEEERP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001275659479 1205470148 /nfs/dbraw/zinc/47/01/48/1205470148.db2.gz VYCSZZLPBYCJMI-QRQLOZEOSA-N 2 0 329.488 2.344 10 30 EEEERP C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000934467524 1207968704 /nfs/dbraw/zinc/96/87/04/1207968704.db2.gz OFSLLLBMTYNSCF-NZSAHSFTSA-N 2 0 327.472 2.416 10 30 EEEERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1)[NH+](C)C ZINC001491072454 1258635307 /nfs/dbraw/zinc/63/53/07/1258635307.db2.gz VRRMIFMKLSZLOF-JZXOWHBKSA-N 2 0 347.890 2.269 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]CCC=C)CC1 ZINC001490309543 1291181838 /nfs/dbraw/zinc/18/18/38/1291181838.db2.gz KZLXTKCTAKDDKS-IEBWSBKVSA-N 2 0 331.504 2.267 10 30 EEEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001276821264 1298786105 /nfs/dbraw/zinc/78/61/05/1298786105.db2.gz SGLKTQKEALLJME-LPHOPBHVSA-N 2 0 345.487 2.143 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C[NH2+]CCC(C)C)C2CC2)CC1 ZINC001277735498 1304295715 /nfs/dbraw/zinc/29/57/15/1304295715.db2.gz OQJYDVUOKVIXHR-LJQANCHMSA-N 2 0 333.520 2.204 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001278480547 1310545365 /nfs/dbraw/zinc/54/53/65/1310545365.db2.gz LMHAVVKDGXZJNC-GUDVDZBRSA-N 2 0 343.515 2.102 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001278587429 1317283386 /nfs/dbraw/zinc/28/33/86/1317283386.db2.gz ZLEICXAQPMXIGD-VQTJNVASSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001264018248 1322585922 /nfs/dbraw/zinc/58/59/22/1322585922.db2.gz ZOZMAZAFBKWYPM-IEBWSBKVSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001264574358 1322735476 /nfs/dbraw/zinc/73/54/76/1322735476.db2.gz RKHDRFMAVYOGAN-GUDVDZBRSA-N 2 0 333.520 2.491 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001264594116 1322744768 /nfs/dbraw/zinc/74/47/68/1322744768.db2.gz FFKYTFVYUTZCDU-KGLIPLIRSA-N 2 0 335.414 2.131 10 30 EEEERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001265104532 1322921167 /nfs/dbraw/zinc/92/11/67/1322921167.db2.gz WHVXJHDROPEYIJ-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC001265596460 1323253033 /nfs/dbraw/zinc/25/30/33/1323253033.db2.gz CTZAPWIDOBFUQZ-FQEVSTJZSA-N 2 0 341.499 2.207 10 30 EEEERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001265786014 1323380009 /nfs/dbraw/zinc/38/00/09/1323380009.db2.gz KKBOQEWZJIYBCV-QFBILLFUSA-N 2 0 345.462 2.146 10 30 EEEERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266155747 1323724607 /nfs/dbraw/zinc/72/46/07/1323724607.db2.gz QHWUZWPMAUOKSQ-APWZRJJASA-N 2 0 345.462 2.146 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001283617710 1326165096 /nfs/dbraw/zinc/16/50/96/1326165096.db2.gz KPGJTSMMQZCTKI-LPHOPBHVSA-N 2 0 347.478 2.200 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]21 ZINC001284095208 1326404207 /nfs/dbraw/zinc/40/42/07/1326404207.db2.gz DQRYCSPQQMLUGW-RCCFBDPRSA-N 2 0 333.520 2.204 10 30 EEEERP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3nccn3C2)CC1 ZINC001284929840 1326781656 /nfs/dbraw/zinc/78/16/56/1326781656.db2.gz NWBNGVIHYZTIIB-KRWDZBQOSA-N 2 0 328.460 2.160 10 30 EEEERP C=CCC[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001491900562 1330296199 /nfs/dbraw/zinc/29/61/99/1330296199.db2.gz QUNLPBORZSPOIK-HXUWFJFHSA-N 2 0 341.499 2.353 10 30 EEEERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001316841114 1331928054 /nfs/dbraw/zinc/92/80/54/1331928054.db2.gz JRXKNRVWLSVIRK-INIZCTEOSA-N 2 0 334.489 2.042 10 30 EEEERP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001317264941 1332158082 /nfs/dbraw/zinc/15/80/82/1332158082.db2.gz AZOIGJBDSCHHSL-HNNXBMFYSA-N 2 0 335.879 2.128 10 30 EEEERP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001319039952 1332640684 /nfs/dbraw/zinc/64/06/84/1332640684.db2.gz RSBPBECDKUJDGF-MOPGFXCFSA-N 2 0 333.520 2.348 10 30 EEEERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C[NH2+]CC#Cc1ccccc1 ZINC001319247607 1332670482 /nfs/dbraw/zinc/67/04/82/1332670482.db2.gz XWONVYWMLRLKHO-SFHVURJKSA-N 2 0 343.515 2.358 10 30 EEEERP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001319889280 1332793042 /nfs/dbraw/zinc/79/30/42/1332793042.db2.gz TZRJBRNWUBLPBO-RBUKOAKNSA-N 2 0 333.520 2.301 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001322517305 1333274893 /nfs/dbraw/zinc/27/48/93/1333274893.db2.gz OXSGEZXZKMULLN-RBUKOAKNSA-N 2 0 342.487 2.227 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001324087921 1333606015 /nfs/dbraw/zinc/60/60/15/1333606015.db2.gz KATHNJZMGHARHV-QFBILLFUSA-N 2 0 327.472 2.354 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001324397141 1333674058 /nfs/dbraw/zinc/67/40/58/1333674058.db2.gz LYJWZMWBUHJFMF-JFIYKMOQSA-N 2 0 337.483 2.001 10 30 EEEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001324420634 1333679707 /nfs/dbraw/zinc/67/97/07/1333679707.db2.gz WXYZKPDQYPDRDG-WBVHZDCISA-N 2 0 325.472 2.001 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCCC(C)C)C2)CC1 ZINC001324673670 1333737299 /nfs/dbraw/zinc/73/72/99/1333737299.db2.gz NBDVAOBZJMGXJL-HXUWFJFHSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001324791520 1333760476 /nfs/dbraw/zinc/76/04/76/1333760476.db2.gz WTHPWLXZAJOQGF-NRFANRHFSA-N 2 0 341.499 2.256 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@H](C[NH2+]CC(C)C)CC2)CC1 ZINC001325681190 1333939762 /nfs/dbraw/zinc/93/97/62/1333939762.db2.gz YUQGQXAOEOJVRM-WGSAOQKQSA-N 2 0 347.547 2.500 10 30 EEEERP CC#CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CCC1 ZINC001326912028 1334182750 /nfs/dbraw/zinc/18/27/50/1334182750.db2.gz XEFKSSVBZPBOQY-GOSISDBHSA-N 2 0 327.472 2.331 10 30 EEEERP C=CCC[C@H](C)[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)O2 ZINC001327359154 1334276050 /nfs/dbraw/zinc/27/60/50/1334276050.db2.gz LKKMRIUCHNYTKH-IRXDYDNUSA-N 2 0 349.519 2.175 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C(C)(C)C ZINC001332881152 1335924181 /nfs/dbraw/zinc/92/41/81/1335924181.db2.gz HIDOFOFOHPHPMX-MSOLQXFVSA-N 2 0 329.488 2.433 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)CC1 ZINC001357158641 1338967707 /nfs/dbraw/zinc/96/77/07/1338967707.db2.gz CGBYMGAMFUODNP-XYJFISCASA-N 2 0 334.508 2.009 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001666162525 1355472486 /nfs/dbraw/zinc/47/24/86/1355472486.db2.gz OUZMHNLHMJDSAQ-GOSISDBHSA-N 2 0 333.520 2.348 10 30 EEEERP CN(CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001567289054 1342733825 /nfs/dbraw/zinc/73/38/25/1342733825.db2.gz SJWCNWDVZAWGQI-GOSISDBHSA-N 2 0 347.890 2.224 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CCCC1 ZINC001569610716 1342908005 /nfs/dbraw/zinc/90/80/05/1342908005.db2.gz WOWIYNZMTKFUDI-MOPGFXCFSA-N 2 0 333.520 2.396 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCCC(C)C)C[C@@H]3C2)CC1 ZINC001569884507 1342969707 /nfs/dbraw/zinc/96/97/07/1342969707.db2.gz SSOIYYCGDWRYFE-BGYRXZFFSA-N 2 0 345.531 2.158 10 30 EEEERP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001624191107 1352416078 /nfs/dbraw/zinc/41/60/78/1352416078.db2.gz BAQASWHSBPOIQX-LJQANCHMSA-N 2 0 345.487 2.456 10 30 EEEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001649461115 1353517558 /nfs/dbraw/zinc/51/75/58/1353517558.db2.gz DBKGMACLRHKLMJ-PKOBYXMFSA-N 2 0 329.488 2.174 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001661318018 1354627136 /nfs/dbraw/zinc/62/71/36/1354627136.db2.gz RXGJZBKCTKVMAB-PMACEKPBSA-N 2 0 339.483 2.103 10 30 EEEERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2Cl)C1)[NH+](C)C ZINC001661474104 1354643552 /nfs/dbraw/zinc/64/35/52/1354643552.db2.gz VRRMIFMKLSZLOF-BQFCYCMXSA-N 2 0 347.890 2.269 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001663928622 1355055020 /nfs/dbraw/zinc/05/50/20/1355055020.db2.gz XKSAWXPUMXKIFM-INIZCTEOSA-N 2 0 334.489 2.041 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001666111351 1355454851 /nfs/dbraw/zinc/45/48/51/1355454851.db2.gz RMEHRBNGRDQIGY-BZUAXINKSA-N 2 0 327.900 2.297 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001667059895 1355642449 /nfs/dbraw/zinc/64/24/49/1355642449.db2.gz WNRYBVXIYVKGEU-MRXNPFEDSA-N 2 0 349.906 2.468 10 30 EEEERP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001671432751 1356338588 /nfs/dbraw/zinc/33/85/88/1356338588.db2.gz XAPMYHHWBVUKER-ZWKOTPCHSA-N 2 0 349.519 2.177 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCCC=C)CC1 ZINC001672543372 1356551969 /nfs/dbraw/zinc/55/19/69/1356551969.db2.gz IIPQVRAQXRSSFN-UXHICEINSA-N 2 0 343.515 2.363 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001672830382 1356594466 /nfs/dbraw/zinc/59/44/66/1356594466.db2.gz HFWXFEMSRDLKPK-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC001675707639 1357041319 /nfs/dbraw/zinc/04/13/19/1357041319.db2.gz LSPIUQYZJHWNNM-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001692119779 1404981125 /nfs/dbraw/zinc/98/11/25/1404981125.db2.gz KMRSRNPFTIANSS-GUDVDZBRSA-N 2 0 333.520 2.348 10 30 EEEERP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001698767275 1405051517 /nfs/dbraw/zinc/05/15/17/1405051517.db2.gz DKNVRXNCZRCBEW-YJBOKZPZSA-N 2 0 349.906 2.374 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001698859972 1405115441 /nfs/dbraw/zinc/11/54/41/1405115441.db2.gz FXWMQNJOKGDMIJ-MSOLQXFVSA-N 2 0 335.536 2.450 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCCCCC)CC1 ZINC001699767000 1405476807 /nfs/dbraw/zinc/47/68/07/1405476807.db2.gz KPJSGZWSSZCNAU-LJQANCHMSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CC3CCC3)CC2)CC1 ZINC000940472007 778702372 /nfs/dbraw/zinc/70/23/72/778702372.db2.gz GCHQCXNIKUWPME-UHFFFAOYSA-N 2 0 331.504 2.102 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000913429096 788868356 /nfs/dbraw/zinc/86/83/56/788868356.db2.gz NBIAJDMCPIYHBE-PKOBYXMFSA-N 2 0 329.488 2.379 10 30 EEEERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921820530 796545237 /nfs/dbraw/zinc/54/52/37/796545237.db2.gz QHQBMORMSCYRDE-UHFFFAOYSA-N 2 0 348.516 2.336 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)CC1 ZINC000922424241 801025957 /nfs/dbraw/zinc/02/59/57/801025957.db2.gz MLCBTLRSMDMHRT-NVXWUHKLSA-N 2 0 346.475 2.106 10 30 EEEERP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001437987592 1090582187 /nfs/dbraw/zinc/58/21/87/1090582187.db2.gz YVNPFNZBUDQLQH-JKSUJKDBSA-N 2 0 327.900 2.392 10 30 EEEERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001438525041 1091016861 /nfs/dbraw/zinc/01/68/61/1091016861.db2.gz XWKYXXHZEHYGKI-KSSFIOAISA-N 2 0 346.450 2.024 10 30 EEEERP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001438830918 1091451641 /nfs/dbraw/zinc/45/16/41/1091451641.db2.gz AHEKEOLINPATRL-APWZRJJASA-N 2 0 342.487 2.130 10 30 EEEERP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001439226080 1091871263 /nfs/dbraw/zinc/87/12/63/1091871263.db2.gz YZBCCZWWVOUOSU-UONOGXRCSA-N 2 0 334.489 2.088 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001448513837 1093541048 /nfs/dbraw/zinc/54/10/48/1093541048.db2.gz YKPQZEHLCXDWMF-JCNLHEQBSA-N 2 0 346.450 2.022 10 30 EEEERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001440758955 1094001147 /nfs/dbraw/zinc/00/11/47/1094001147.db2.gz CYAPUOGUSQVSHN-UHFFFAOYSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001449086213 1094098851 /nfs/dbraw/zinc/09/88/51/1094098851.db2.gz AUZUJICKQAGJBJ-CYBMUJFWSA-N 2 0 346.313 2.063 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001480077837 1099621451 /nfs/dbraw/zinc/62/14/51/1099621451.db2.gz BCINNKMXYAYYPO-QGZVFWFLSA-N 2 0 338.455 2.450 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480208375 1099815108 /nfs/dbraw/zinc/81/51/08/1099815108.db2.gz CLMDAASNJOUSOP-OTWHNJEPSA-N 2 0 340.471 2.169 10 30 EEEERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001480222184 1099840473 /nfs/dbraw/zinc/84/04/73/1099840473.db2.gz FYUMZOIZSBAOIC-ZCNNSNEGSA-N 2 0 341.499 2.395 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001495858156 1101683099 /nfs/dbraw/zinc/68/30/99/1101683099.db2.gz ZZLRIDOXIPDGMT-KRWDZBQOSA-N 2 0 342.443 2.040 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCCCC)CC1 ZINC001496920827 1101721964 /nfs/dbraw/zinc/72/19/64/1101721964.db2.gz ZZYALBGGBATTFC-OALUTQOASA-N 2 0 333.520 2.396 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001498197903 1107065749 /nfs/dbraw/zinc/06/57/49/1107065749.db2.gz ZUISGNBSPAWSNK-KBXCAEBGSA-N 2 0 346.450 2.166 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1CC ZINC001498888921 1108281432 /nfs/dbraw/zinc/28/14/32/1108281432.db2.gz ILOFPGNVXZMJTQ-QZTJIDSGSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001499477499 1112307210 /nfs/dbraw/zinc/30/72/10/1112307210.db2.gz DKSZBHCBNUWHPV-GOSISDBHSA-N 2 0 333.520 2.465 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCOCC1 ZINC001500573555 1112950202 /nfs/dbraw/zinc/95/02/02/1112950202.db2.gz FIKZNQKBAKOMQJ-MSOLQXFVSA-N 2 0 349.519 2.225 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501153952 1113217715 /nfs/dbraw/zinc/21/77/15/1113217715.db2.gz YQTCIRUCWPGYDK-QFBILLFUSA-N 2 0 342.487 2.083 10 30 EEEERP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001501200146 1113239215 /nfs/dbraw/zinc/23/92/15/1113239215.db2.gz RKCHESQJAOIFTQ-NRFANRHFSA-N 2 0 339.483 2.114 10 30 EEEERP C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001505404803 1113941051 /nfs/dbraw/zinc/94/10/51/1113941051.db2.gz OWRJKRLSGFSXSR-ROUUACIJSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CC[C@@H](C)F)CC2)CC1 ZINC001506979594 1115028536 /nfs/dbraw/zinc/02/85/36/1115028536.db2.gz YBHOLKJBRGOZSR-MRXNPFEDSA-N 2 0 337.483 2.003 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC/C=C\CC)C[C@H]2C)CC1 ZINC001507338247 1115201378 /nfs/dbraw/zinc/20/13/78/1115201378.db2.gz IOCHACIUVJLHSR-LJJUJYJISA-N 2 0 331.504 2.267 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001507458774 1115281518 /nfs/dbraw/zinc/28/15/18/1115281518.db2.gz UDTMZBXLCYENRD-LSDHHAIUSA-N 2 0 347.425 2.275 10 30 EEEERP C#CCC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001568441395 1124510918 /nfs/dbraw/zinc/51/09/18/1124510918.db2.gz YWWUOTRRAJYPHC-QZTJIDSGSA-N 2 0 333.520 2.443 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]Cc2cccc(F)c2)CC1 ZINC001568713871 1124731945 /nfs/dbraw/zinc/73/19/45/1124731945.db2.gz KGGHMXDCUMIXMX-MRXNPFEDSA-N 2 0 345.462 2.155 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001568969093 1125006206 /nfs/dbraw/zinc/00/62/06/1125006206.db2.gz IABZFNGRDLWCNY-PLNGDYQASA-N 2 0 347.890 2.294 10 30 EEEERP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001569163462 1125137225 /nfs/dbraw/zinc/13/72/25/1125137225.db2.gz JICGNOXCPCLZAZ-QZTJIDSGSA-N 2 0 333.520 2.396 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297557919 465261110 /nfs/dbraw/zinc/26/11/10/465261110.db2.gz GFYDHWXZSQUNPU-UHFFFAOYSA-N 2 0 327.432 2.174 10 30 EEEERP C#CCOc1ccccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121134912 463085547 /nfs/dbraw/zinc/08/55/47/463085547.db2.gz HILSVSPDQPBXHH-QGZVFWFLSA-N 2 0 330.472 2.223 10 30 EEEERP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC000347034670 466338858 /nfs/dbraw/zinc/33/88/58/466338858.db2.gz TXEUIHDTSVGNMA-UHFFFAOYSA-N 2 0 342.487 2.180 10 30 EEEERP COC[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452110454 467325882 /nfs/dbraw/zinc/32/58/82/467325882.db2.gz ZDGHQABPVXFFAR-BGYRXZFFSA-N 2 0 336.520 2.487 10 30 EEEERP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C2)CC1 ZINC000594436303 468585755 /nfs/dbraw/zinc/58/57/55/468585755.db2.gz CXDZOKKWAMFEPI-QZTJIDSGSA-N 2 0 334.508 2.368 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000594446056 468591680 /nfs/dbraw/zinc/59/16/80/468591680.db2.gz PBBKMFMYIXQDCO-SFHVURJKSA-N 2 0 328.460 2.178 10 30 EEEERP N#CC1(C[C@@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000600726853 468637845 /nfs/dbraw/zinc/63/78/45/468637845.db2.gz HKEFGNMZEPSXFB-LJQANCHMSA-N 2 0 349.519 2.444 10 30 EEEERP C[NH+]1CCC2(CC1)C[N@H+](CCCOc1cccc(C#N)c1)CCO2 ZINC000592184012 468648235 /nfs/dbraw/zinc/64/82/35/468648235.db2.gz WXZPZXLUSKEWQT-UHFFFAOYSA-N 2 0 329.444 2.124 10 30 EEEERP C[NH+]=C(NCCc1sc(C)nc1C)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000086897849 526365982 /nfs/dbraw/zinc/36/59/82/526365982.db2.gz YLWIMFPBMYAZOT-HNNXBMFYSA-N 2 0 349.548 2.484 10 30 EEEERP C[NH+]=C(NCC1(CCO)CCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262819194 688530394 /nfs/dbraw/zinc/53/03/94/688530394.db2.gz WMTVIHVCJBLGBR-ALOPSCKCSA-N 2 0 336.524 2.110 10 30 EEEERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001266544667 1176801748 /nfs/dbraw/zinc/80/17/48/1176801748.db2.gz FVZUZKSCWWRDAY-IBGZPJMESA-N 2 0 342.487 2.228 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001266994041 1178050519 /nfs/dbraw/zinc/05/05/19/1178050519.db2.gz IIQLXWRKOFNCEL-KRWDZBQOSA-N 2 0 345.531 2.396 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC=C(C)C)C2)CC1 ZINC001267093658 1178225354 /nfs/dbraw/zinc/22/53/54/1178225354.db2.gz MXNHBHDSABFDDU-MOPGFXCFSA-N 2 0 331.504 2.315 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC=C(C)C ZINC001267169799 1178390914 /nfs/dbraw/zinc/39/09/14/1178390914.db2.gz XMQUAUHNEVZTLC-OALUTQOASA-N 2 0 331.504 2.411 10 30 EEEERP CCC[N@H+](C)CC(=O)NCCN(CC)CC#Cc1ccc(Cl)cc1 ZINC001267255283 1178622874 /nfs/dbraw/zinc/62/28/74/1178622874.db2.gz DPCJONZIHOLTHJ-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001267370477 1178871836 /nfs/dbraw/zinc/87/18/36/1178871836.db2.gz QNLFVOKRLKMSMF-GOSISDBHSA-N 2 0 329.488 2.435 10 30 EEEERP CN(CC[NH2+]Cc1ccc(F)c(C#N)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267413124 1178975093 /nfs/dbraw/zinc/97/50/93/1178975093.db2.gz WFXGSOBIQAXMCT-UHFFFAOYSA-N 2 0 346.450 2.120 10 30 EEEERP CC(C)[N@@H+](CC#Cc1ccc(F)cc1)CCCNC(=O)CC[NH+](C)C ZINC001267507195 1179211636 /nfs/dbraw/zinc/21/16/36/1179211636.db2.gz GUDJKHVUXGEHHD-UHFFFAOYSA-N 2 0 347.478 2.346 10 30 EEEERP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001267858368 1180642344 /nfs/dbraw/zinc/64/23/44/1180642344.db2.gz QZTLBIYJPUAZHX-MOPGFXCFSA-N 2 0 337.483 2.097 10 30 EEEERP C[NH+](C)CCCC(=O)NCC1CN(CC#Cc2cccc(Cl)c2)C1 ZINC001481641024 1182018802 /nfs/dbraw/zinc/01/88/02/1182018802.db2.gz IUJLNXPOPFXQJT-UHFFFAOYSA-N 2 0 347.890 2.081 10 30 EEEERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC001269417424 1184252724 /nfs/dbraw/zinc/25/27/24/1184252724.db2.gz IKDAENSSHYQQKT-MOPGFXCFSA-N 2 0 329.488 2.109 10 30 EEEERP C#CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCC2CC2)CC1 ZINC001270315361 1185010552 /nfs/dbraw/zinc/01/05/52/1185010552.db2.gz MQYTUAZGIIGKCN-FQEVSTJZSA-N 2 0 343.515 2.055 10 30 EEEERP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001270346005 1185035017 /nfs/dbraw/zinc/03/50/17/1185035017.db2.gz WGHGAYVBCIWUFH-QZTJIDSGSA-N 2 0 333.520 2.301 10 30 EEEERP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271099882 1185886802 /nfs/dbraw/zinc/88/68/02/1185886802.db2.gz GTISGJCSRDOMBY-MRXNPFEDSA-N 2 0 343.462 2.368 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001271645047 1186355929 /nfs/dbraw/zinc/35/59/29/1186355929.db2.gz LQDWZYACWBGSHY-DLBZAZTESA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+][C@@H](C)CCC=C)CC1 ZINC001671383971 1187160198 /nfs/dbraw/zinc/16/01/98/1187160198.db2.gz HWQRNKZADIJCCT-PKOBYXMFSA-N 2 0 331.504 2.267 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482692431 1187659185 /nfs/dbraw/zinc/65/91/85/1187659185.db2.gz JKGDJHQMNIQMKF-RBUKOAKNSA-N 2 0 327.472 2.260 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001482864571 1187783855 /nfs/dbraw/zinc/78/38/55/1187783855.db2.gz AMSLUQRMSNFENP-MRXNPFEDSA-N 2 0 345.462 2.003 10 30 EEEERP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001670939789 1193530199 /nfs/dbraw/zinc/53/01/99/1193530199.db2.gz MANSFVSIQRGISP-MVCQKVDPSA-N 2 0 349.519 2.033 10 30 EEEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001670989054 1193539724 /nfs/dbraw/zinc/53/97/24/1193539724.db2.gz GNRQDIMALCWAPC-GOSISDBHSA-N 2 0 331.504 2.055 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001272844346 1193573939 /nfs/dbraw/zinc/57/39/39/1193573939.db2.gz DEDGATXPHJHGLU-KSSFIOAISA-N 2 0 348.466 2.268 10 30 EEEERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001409427210 1189660619 /nfs/dbraw/zinc/66/06/19/1189660619.db2.gz WMJCQSUXFIIWAT-UONOGXRCSA-N 2 0 334.439 2.022 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001483915685 1191115261 /nfs/dbraw/zinc/11/52/61/1191115261.db2.gz HPQRLPRSHXKCFV-SJORKVTESA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC2CCCCCC2)CC1 ZINC001493806167 1191380771 /nfs/dbraw/zinc/38/07/71/1191380771.db2.gz GLWZNJWKOQLXGQ-UHFFFAOYSA-N 2 0 333.520 2.350 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CCO1 ZINC001484693181 1191469081 /nfs/dbraw/zinc/46/90/81/1191469081.db2.gz DEJWUPMLVVTNLI-MOPGFXCFSA-N 2 0 345.487 2.073 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001484683423 1191469924 /nfs/dbraw/zinc/46/99/24/1191469924.db2.gz FIZVJCPEYOOVSV-SFHVURJKSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001484688125 1191471462 /nfs/dbraw/zinc/47/14/62/1191471462.db2.gz GRFZPFUOOFKGTG-IAGOWNOFSA-N 2 0 337.508 2.033 10 30 EEEERP C=C(C)C[NH2+][C@H](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1 ZINC001486188910 1193730849 /nfs/dbraw/zinc/73/08/49/1193730849.db2.gz LTGBCMLQPBDRJV-LJQANCHMSA-N 2 0 341.499 2.366 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272966504 1194275536 /nfs/dbraw/zinc/27/55/36/1194275536.db2.gz IVEYABCEDLZOPA-KDOFPFPSSA-N 2 0 346.450 2.166 10 30 EEEERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)CCC1 ZINC001410232996 1197621869 /nfs/dbraw/zinc/62/18/69/1197621869.db2.gz GBQFUPMVXMHBIJ-HDJSIYSDSA-N 2 0 346.500 2.088 10 30 EEEERP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001273428524 1198811475 /nfs/dbraw/zinc/81/14/75/1198811475.db2.gz PGNTXYJEECWPIN-INIZCTEOSA-N 2 0 342.443 2.350 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000886576184 1202526248 /nfs/dbraw/zinc/52/62/48/1202526248.db2.gz ZKDHSZGFVUFHHI-LJQANCHMSA-N 2 0 339.483 2.065 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CCCC[NH+](C)C ZINC001274991511 1205228616 /nfs/dbraw/zinc/22/86/16/1205228616.db2.gz JAEZXIFBOOVFMM-MRXNPFEDSA-N 2 0 333.451 2.003 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001491265151 1258865413 /nfs/dbraw/zinc/86/54/13/1258865413.db2.gz WVVMUAJTNLQZRZ-FQEVSTJZSA-N 2 0 341.499 2.398 10 30 EEEERP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001273446542 1278419359 /nfs/dbraw/zinc/41/93/59/1278419359.db2.gz RYYBGERWAGTUCC-FQEVSTJZSA-N 2 0 341.499 2.155 10 30 EEEERP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001489338014 1290521395 /nfs/dbraw/zinc/52/13/95/1290521395.db2.gz WAPDCPNCLKUVKQ-CQSZACIVSA-N 2 0 348.516 2.035 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2ccnc2C(C)C)C1 ZINC001490773920 1291717821 /nfs/dbraw/zinc/71/78/21/1291717821.db2.gz DEUGLBXIKZPWER-KRWDZBQOSA-N 2 0 330.476 2.200 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001277335312 1302478434 /nfs/dbraw/zinc/47/84/34/1302478434.db2.gz MDACUWRPEVUZLV-MRXNPFEDSA-N 2 0 340.471 2.029 10 30 EEEERP C#CCN(C(=O)CC[N@@H+](C)CCC)C1CC[NH+](C/C=C\Cl)CC1 ZINC001278194514 1306244569 /nfs/dbraw/zinc/24/45/69/1306244569.db2.gz OYESQXMUANPLHR-POHAHGRESA-N 2 0 339.911 2.397 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)C(C)C ZINC001119409061 1309067860 /nfs/dbraw/zinc/06/78/60/1309067860.db2.gz DJGYMQGWZPSLBQ-KZNAEPCWSA-N 2 0 334.508 2.221 10 30 EEEERP CCC[NH+]1CCN(c2ccccc2C=[NH+]N2CCC[C@H]2CO)CC1 ZINC000841660733 1315591920 /nfs/dbraw/zinc/59/19/20/1315591920.db2.gz DTXSRWQYWNJRBO-SFHVURJKSA-N 2 0 330.476 2.009 10 30 EEEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001278550774 1317216454 /nfs/dbraw/zinc/21/64/54/1317216454.db2.gz ZBQIUOOONIKKCY-ROUUACIJSA-N 2 0 325.472 2.213 10 30 EEEERP CC#CC[NH2+][C@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC001278667569 1317608327 /nfs/dbraw/zinc/60/83/27/1317608327.db2.gz RSAQXLGIFNXTJV-KXBFYZLASA-N 2 0 337.483 2.049 10 30 EEEERP C#CC[N@H+](C[C@@H]1CCCOC1)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001262019526 1322222546 /nfs/dbraw/zinc/22/25/46/1322222546.db2.gz USUREIFEGNVIOF-MOPGFXCFSA-N 2 0 334.504 2.239 10 30 EEEERP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001264126383 1322635425 /nfs/dbraw/zinc/63/54/25/1322635425.db2.gz UKCJGQHSABJLEV-QZTJIDSGSA-N 2 0 339.524 2.136 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001264594118 1322744930 /nfs/dbraw/zinc/74/49/30/1322744930.db2.gz FFKYTFVYUTZCDU-ZIAGYGMSSA-N 2 0 335.414 2.131 10 30 EEEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001264677997 1322779825 /nfs/dbraw/zinc/77/98/25/1322779825.db2.gz NCAPZWHDJSKLGG-SJORKVTESA-N 2 0 325.472 2.050 10 30 EEEERP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001265335700 1323083130 /nfs/dbraw/zinc/08/31/30/1323083130.db2.gz DXTHPBUOIWLSRM-SFHVURJKSA-N 2 0 331.504 2.247 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265397265 1323128659 /nfs/dbraw/zinc/12/86/59/1323128659.db2.gz VKEZOBLEWWCFNE-SFHVURJKSA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001265978681 1323537794 /nfs/dbraw/zinc/53/77/94/1323537794.db2.gz URVKUFFTJZLKQC-YZGWKJHDSA-N 2 0 345.531 2.206 10 30 EEEERP C=CCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)O2 ZINC001280929263 1324647203 /nfs/dbraw/zinc/64/72/03/1324647203.db2.gz CSMIQKYDOUOEKT-ZWKOTPCHSA-N 2 0 349.519 2.175 10 30 EEEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001281031342 1324730299 /nfs/dbraw/zinc/73/02/99/1324730299.db2.gz PDXJOEBGYZRRFO-ROUUACIJSA-N 2 0 331.504 2.387 10 30 EEEERP CN(CC(C)(C)C[NH2+]CC#Cc1ccc(F)cc1)C(=O)CC[NH+](C)C ZINC001282310898 1325685700 /nfs/dbraw/zinc/68/57/00/1325685700.db2.gz VDJRDIVGWQQTRI-UHFFFAOYSA-N 2 0 347.478 2.203 10 30 EEEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001282337993 1325694770 /nfs/dbraw/zinc/69/47/70/1325694770.db2.gz SDLVEQJAZMYHDK-SFHVURJKSA-N 2 0 329.488 2.387 10 30 EEEERP C#CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001282973170 1325861829 /nfs/dbraw/zinc/86/18/29/1325861829.db2.gz QCKXJMGRPQGVBQ-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001283350686 1326024513 /nfs/dbraw/zinc/02/45/13/1326024513.db2.gz JWVMHQUVWXJKAC-FQEVSTJZSA-N 2 0 341.499 2.360 10 30 EEEERP CC[C@@H](C(=O)N(C)C1CC([NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001284789511 1326715367 /nfs/dbraw/zinc/71/53/67/1326715367.db2.gz CDQGBSAWAIMKSP-ACBHZAAOSA-N 2 0 345.462 2.096 10 30 EEEERP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001316644570 1327592126 /nfs/dbraw/zinc/59/21/26/1327592126.db2.gz RYEATEXELHGXNI-IPMKNSEASA-N 2 0 329.488 2.487 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001491682085 1330204050 /nfs/dbraw/zinc/20/40/50/1330204050.db2.gz IPRMNSDFWBSKGY-KBPBESRZSA-N 2 0 346.313 2.110 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317139559 1332095792 /nfs/dbraw/zinc/09/57/92/1332095792.db2.gz JXVOSNZSPUCFSD-VQIMIIECSA-N 2 0 337.483 2.050 10 30 EEEERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001317342791 1332186918 /nfs/dbraw/zinc/18/69/18/1332186918.db2.gz IQDIRJWVOXJDDK-LJQANCHMSA-N 2 0 342.487 2.228 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC2CCC2)C(C)C)CC1 ZINC001317709077 1332383044 /nfs/dbraw/zinc/38/30/44/1332383044.db2.gz SCEGIRGXWXGYMV-UHFFFAOYSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001317844887 1332429145 /nfs/dbraw/zinc/42/91/45/1332429145.db2.gz GXVBNUAJVQZJEA-MRXNPFEDSA-N 2 0 339.443 2.237 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320523824 1332903248 /nfs/dbraw/zinc/90/32/48/1332903248.db2.gz RKMLKWFWYOMDAV-MJGOQNOKSA-N 2 0 327.472 2.007 10 30 EEEERP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)CC1 ZINC001323832989 1333549651 /nfs/dbraw/zinc/54/96/51/1333549651.db2.gz UFSRBTIBBPZPKR-KRWDZBQOSA-N 2 0 337.483 2.004 10 30 EEEERP C#CC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001328509193 1334470484 /nfs/dbraw/zinc/47/04/84/1334470484.db2.gz FYIGYHCCRIXUCG-SFHVURJKSA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001330476074 1334853471 /nfs/dbraw/zinc/85/34/71/1334853471.db2.gz QKBSLRWLRQURNZ-ZCNNSNEGSA-N 2 0 345.531 2.493 10 30 EEEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001331323154 1334996453 /nfs/dbraw/zinc/99/64/53/1334996453.db2.gz CCMNKDREOWOKNU-FQEVSTJZSA-N 2 0 341.499 2.254 10 30 EEEERP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001331602619 1335044271 /nfs/dbraw/zinc/04/42/71/1335044271.db2.gz ZPBGOEWAJBXGPV-INIZCTEOSA-N 2 0 349.906 2.470 10 30 EEEERP C#CCN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](CC)CC1 ZINC001569595808 1342905149 /nfs/dbraw/zinc/90/51/49/1342905149.db2.gz CBWASZXGJATXOI-UHFFFAOYSA-N 2 0 327.472 2.308 10 30 EEEERP C=CCOCC[NH2+]C1(C)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001570387922 1343063101 /nfs/dbraw/zinc/06/31/01/1343063101.db2.gz UQWWPQNVJDXWTH-IAGOWNOFSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CC=C(Cl)Cl)CC1 ZINC001676487903 1357156431 /nfs/dbraw/zinc/15/64/31/1357156431.db2.gz LGFYYBMHDYDKTG-ZDUSSCGKSA-N 2 0 346.302 2.087 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)CCC[NH+]2CCCC2)c(F)c1 ZINC001677648497 1357383071 /nfs/dbraw/zinc/38/30/71/1357383071.db2.gz RQDJHXXZDGQLBC-UHFFFAOYSA-N 2 0 345.462 2.431 10 30 EEEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001649458979 1353516812 /nfs/dbraw/zinc/51/68/12/1353516812.db2.gz RBINJRNGDFFSRH-OALUTQOASA-N 2 0 349.519 2.177 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001666145016 1355465840 /nfs/dbraw/zinc/46/58/40/1355465840.db2.gz BNLMLDKJNPKQQH-VQIMIIECSA-N 2 0 337.483 2.050 10 30 EEEERP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001667387998 1355729160 /nfs/dbraw/zinc/72/91/60/1355729160.db2.gz XOCXWPMRKOKWTG-QZTJIDSGSA-N 2 0 333.520 2.348 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)C12CCC[NH+]1CCC2 ZINC001668121860 1355876794 /nfs/dbraw/zinc/87/67/94/1355876794.db2.gz CKUXLUAFQKDKRW-MRXNPFEDSA-N 2 0 340.471 2.171 10 30 EEEERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001673917092 1356759945 /nfs/dbraw/zinc/75/99/45/1356759945.db2.gz JMCMSFYQVCGYJN-QFBILLFUSA-N 2 0 342.487 2.227 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001675677980 1357033828 /nfs/dbraw/zinc/03/38/28/1357033828.db2.gz MNPKCUQLVIEAFG-KRWDZBQOSA-N 2 0 331.504 2.361 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C(=O)CC[NH+](C)C ZINC001698845502 1405105010 /nfs/dbraw/zinc/10/50/10/1405105010.db2.gz ZRTXOWLWEYOCGS-OAHLLOKOSA-N 2 0 335.879 2.080 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000921279637 773253291 /nfs/dbraw/zinc/25/32/91/773253291.db2.gz AWBDVNGCAYNNPU-UHFFFAOYSA-N 2 0 348.535 2.430 10 30 EEEERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000925843104 779400721 /nfs/dbraw/zinc/40/07/21/779400721.db2.gz CKOIWBWFCVVDSG-QGZVFWFLSA-N 2 0 330.476 2.315 10 30 EEEERP C#C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000847027803 790843261 /nfs/dbraw/zinc/84/32/61/790843261.db2.gz XAUNNXCRJPXNEA-GOSISDBHSA-N 2 0 339.483 2.244 10 30 EEEERP C#CCN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000913874052 794455491 /nfs/dbraw/zinc/45/54/91/794455491.db2.gz BMVHGMBYRVPPQU-MRXNPFEDSA-N 2 0 348.516 2.090 10 30 EEEERP C#CCN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000914099806 794873727 /nfs/dbraw/zinc/87/37/27/794873727.db2.gz KLKPJRGXZJBZAM-SFHVURJKSA-N 2 0 348.535 2.380 10 30 EEEERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001446017832 1092002866 /nfs/dbraw/zinc/00/28/66/1092002866.db2.gz UOAXREIIAIJOAK-RHSMWYFYSA-N 2 0 348.516 2.288 10 30 EEEERP CC(C)N(CC[N@H+](C)Cc1ccc(F)c(C#N)c1)C(=O)CC[NH+](C)C ZINC001449264562 1094211863 /nfs/dbraw/zinc/21/18/63/1094211863.db2.gz DCMCYNZYRLCYKT-UHFFFAOYSA-N 2 0 348.466 2.318 10 30 EEEERP CC(C)N(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001442102385 1096325519 /nfs/dbraw/zinc/32/55/19/1096325519.db2.gz OFHUIFGYXYBORR-IBGZPJMESA-N 2 0 342.487 2.321 10 30 EEEERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2cccc(C#N)c2)C(C)(C)C)C1 ZINC001442174199 1096439934 /nfs/dbraw/zinc/43/99/34/1096439934.db2.gz KLHGNKCLATULQX-QZTJIDSGSA-N 2 0 342.487 2.130 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001496443253 1101033519 /nfs/dbraw/zinc/03/35/19/1101033519.db2.gz GFKLUBAGKDZNSK-WBVHZDCISA-N 2 0 338.455 2.496 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001495507052 1101219862 /nfs/dbraw/zinc/21/98/62/1101219862.db2.gz CYKVXNHTROUEMW-IAGOWNOFSA-N 2 0 327.472 2.289 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC001495964036 1101848820 /nfs/dbraw/zinc/84/88/20/1101848820.db2.gz WKAMOHVWSQWXIS-UHFFFAOYSA-N 2 0 341.499 2.397 10 30 EEEERP CC1CC[NH+](CC(=O)NC/C=C\C[NH2+]CC#Cc2ccccc2)CC1 ZINC001497716509 1102959170 /nfs/dbraw/zinc/95/91/70/1102959170.db2.gz ZBSFNMNHAOBDEF-WAYWQWQTSA-N 2 0 339.483 2.032 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480708521 1106928714 /nfs/dbraw/zinc/92/87/14/1106928714.db2.gz GXVOIUOMNUEYTJ-CABCVRRESA-N 2 0 348.516 2.477 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001480717522 1106951820 /nfs/dbraw/zinc/95/18/20/1106951820.db2.gz UIBGUESBOSVEOH-HXUWFJFHSA-N 2 0 341.499 2.189 10 30 EEEERP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001499066432 1108530399 /nfs/dbraw/zinc/53/03/99/1108530399.db2.gz IDAULUDBRGRFIS-CRAIPNDOSA-N 2 0 325.472 2.356 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC001499231174 1112190513 /nfs/dbraw/zinc/19/05/13/1112190513.db2.gz UWYINLAGBVRHRH-ZWKOTPCHSA-N 2 0 340.471 2.027 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC[NH+](C(C)C)CC1 ZINC001500048498 1112592384 /nfs/dbraw/zinc/59/23/84/1112592384.db2.gz NESKBJMGSQSELV-SFHVURJKSA-N 2 0 333.520 2.443 10 30 EEEERP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001500505643 1112896800 /nfs/dbraw/zinc/89/68/00/1112896800.db2.gz USCFMFVUELWUAF-QUCCMNQESA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001500546919 1112937719 /nfs/dbraw/zinc/93/77/19/1112937719.db2.gz KKPZXNCEQPHHMK-NRFANRHFSA-N 2 0 345.531 2.350 10 30 EEEERP C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)CC#Cc1cccc(Cl)c1 ZINC001505990957 1114324995 /nfs/dbraw/zinc/32/49/95/1114324995.db2.gz LFSYJPPWJIFDOU-INIZCTEOSA-N 2 0 349.906 2.470 10 30 EEEERP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CC#Cc1ccccc1 ZINC001568178951 1124341501 /nfs/dbraw/zinc/34/15/01/1124341501.db2.gz LUSLTACTSWBFII-GOSISDBHSA-N 2 0 339.483 2.008 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001569163466 1125137204 /nfs/dbraw/zinc/13/72/04/1125137204.db2.gz JICGNOXCPCLZAZ-ZWKOTPCHSA-N 2 0 333.520 2.396 10 30 EEEERP C=CCOc1ccccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000092615684 462966279 /nfs/dbraw/zinc/96/62/79/462966279.db2.gz JYWCDGXNFKQRJM-UHFFFAOYSA-N 2 0 345.487 2.141 10 30 EEEERP C[C@@]1([NH2+]CC#CC[NH2+][C@@]2(C)CCO[C@H]2C2CC2)CCO[C@H]1C1CC1 ZINC000367465508 466356354 /nfs/dbraw/zinc/35/63/54/466356354.db2.gz ZXJNNQHQKMSYCN-LWYYNNOASA-N 2 0 332.488 2.084 10 30 EEEERP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000600721953 468635204 /nfs/dbraw/zinc/63/52/04/468635204.db2.gz OCFKAVIFAYIATB-RBUKOAKNSA-N 2 0 327.472 2.195 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000899963662 693940566 /nfs/dbraw/zinc/94/05/66/693940566.db2.gz FZQBCAKGTRIWLY-SFHVURJKSA-N 2 0 345.487 2.456 10 30 EEEERP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001266882183 1177696233 /nfs/dbraw/zinc/69/62/33/1177696233.db2.gz DFMVQEAGNKNQQA-OALUTQOASA-N 2 0 340.471 2.123 10 30 EEEERP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691402256 1178011020 /nfs/dbraw/zinc/01/10/20/1178011020.db2.gz ITMXBKFKZIFQFB-QAPCUYQASA-N 2 0 325.472 2.308 10 30 EEEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001267190175 1178460929 /nfs/dbraw/zinc/46/09/29/1178460929.db2.gz DMMJGUYQEXTACL-MJGOQNOKSA-N 2 0 333.520 2.347 10 30 EEEERP C[C@H]1CC[N@H+](CC(=O)NCCN(C)CC#Cc2ccccc2Cl)C1 ZINC001267218033 1178522436 /nfs/dbraw/zinc/52/24/36/1178522436.db2.gz WQIQEPCKQHNINC-INIZCTEOSA-N 2 0 347.890 2.081 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](CCCF)C2)CC1 ZINC001267549988 1179336615 /nfs/dbraw/zinc/33/66/15/1179336615.db2.gz MUOPPUQJIXUTST-GOSISDBHSA-N 2 0 337.483 2.004 10 30 EEEERP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001267602628 1179664131 /nfs/dbraw/zinc/66/41/31/1179664131.db2.gz HTCFEZJRBJQYSH-OALUTQOASA-N 2 0 331.504 2.197 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001267925988 1180773240 /nfs/dbraw/zinc/77/32/40/1180773240.db2.gz WJXXHZLMHUWOMY-QAQDUYKDSA-N 2 0 347.507 2.042 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](C)CC)CC2)CC1 ZINC001267932606 1180783444 /nfs/dbraw/zinc/78/34/44/1180783444.db2.gz WIPGKVKFGLGGDX-WDSOQIARSA-N 2 0 333.520 2.395 10 30 EEEERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001481539164 1181684541 /nfs/dbraw/zinc/68/45/41/1181684541.db2.gz BPUHXHIGXQLDIW-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)Cc1ccccc1 ZINC001268198405 1181993063 /nfs/dbraw/zinc/99/30/63/1181993063.db2.gz QRRSSBROQKFIFY-ICSRJNTNSA-N 2 0 341.499 2.358 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268291619 1182177142 /nfs/dbraw/zinc/17/71/42/1182177142.db2.gz ZNTWPINVJDUMFI-RBUKOAKNSA-N 2 0 327.472 2.260 10 30 EEEERP CC[C@H](C(=O)N(CC)[C@H]1CCN(CC#Cc2ccccc2)C1)[NH+](C)C ZINC001481776935 1182674679 /nfs/dbraw/zinc/67/46/79/1182674679.db2.gz CCKRESDZEOSDOP-VQTJNVASSA-N 2 0 341.499 2.301 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001482202260 1183922870 /nfs/dbraw/zinc/92/28/70/1183922870.db2.gz LDWVIHUVPBVGAZ-LJQANCHMSA-N 2 0 345.487 2.145 10 30 EEEERP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001482204171 1183945793 /nfs/dbraw/zinc/94/57/93/1183945793.db2.gz AXLKSVLTKMPJPT-SFHVURJKSA-N 2 0 337.508 2.036 10 30 EEEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)CC1 ZINC001269416004 1184251741 /nfs/dbraw/zinc/25/17/41/1184251741.db2.gz NWVNOZRRQGRTCP-PBHICJAKSA-N 2 0 345.491 2.383 10 30 EEEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001270737369 1185355599 /nfs/dbraw/zinc/35/55/99/1185355599.db2.gz KYQVOKVBIANYSC-GOSISDBHSA-N 2 0 333.501 2.275 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001482437384 1185715393 /nfs/dbraw/zinc/71/53/93/1185715393.db2.gz NTNCTEGOIWSQCC-VQIMIIECSA-N 2 0 327.472 2.212 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001271341529 1186150057 /nfs/dbraw/zinc/15/00/57/1186150057.db2.gz QZSKGGHDZVSZMO-SFHVURJKSA-N 2 0 331.504 2.293 10 30 EEEERP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001271771967 1186473693 /nfs/dbraw/zinc/47/36/93/1186473693.db2.gz FFJHJWCBZIGDPE-IBGZPJMESA-N 2 0 333.520 2.465 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@H](C[NH2+]CCC)CC2)CC1 ZINC001271789596 1186486926 /nfs/dbraw/zinc/48/69/26/1186486926.db2.gz MRHONIVPMOFSKA-IYARVYRRSA-N 2 0 333.520 2.254 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485824283 1193457725 /nfs/dbraw/zinc/45/77/25/1193457725.db2.gz JZWLKHDXJQUMAY-BPUTZDHNSA-N 2 0 327.900 2.296 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC001483914818 1191114758 /nfs/dbraw/zinc/11/47/58/1191114758.db2.gz RMTCKNHEJVQHDS-APWZRJJASA-N 2 0 342.487 2.368 10 30 EEEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001483989532 1191144622 /nfs/dbraw/zinc/14/46/22/1191144622.db2.gz NDJBMGAGOLRSGO-UHFFFAOYSA-N 2 0 331.504 2.055 10 30 EEEERP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001485084673 1191647533 /nfs/dbraw/zinc/64/75/33/1191647533.db2.gz PNJCARDHAUIOIW-IBGZPJMESA-N 2 0 333.520 2.302 10 30 EEEERP C=C(Cl)CN1CCCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485483845 1191800076 /nfs/dbraw/zinc/80/00/76/1191800076.db2.gz COCMHPNVATYKGU-CVEARBPZSA-N 2 0 327.900 2.442 10 30 EEEERP C#CCCCOc1cccnc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866012215 1198454428 /nfs/dbraw/zinc/45/44/28/1198454428.db2.gz UNRFVKXGZVEALE-QZTJIDSGSA-N 2 0 344.503 2.049 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000876779953 1199770557 /nfs/dbraw/zinc/77/05/57/1199770557.db2.gz PEFXJQDLLCHYMG-HNNXBMFYSA-N 2 0 336.867 2.155 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCC2CC2)CC1 ZINC001275816748 1205548097 /nfs/dbraw/zinc/54/80/97/1205548097.db2.gz MTCWLGFEEHHXHU-VQTJNVASSA-N 2 0 345.531 2.396 10 30 EEEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc(F)c(F)c(F)c1 ZINC000305886496 1217423251 /nfs/dbraw/zinc/42/32/51/1217423251.db2.gz YJCZEIQCGSPFGN-LBPRGKRZSA-N 2 0 328.382 2.035 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000901171018 1235312711 /nfs/dbraw/zinc/31/27/11/1235312711.db2.gz GGZFJFLVLBFKOS-MRXNPFEDSA-N 2 0 330.476 2.231 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCC=C)CC1 ZINC001278151766 1306113150 /nfs/dbraw/zinc/11/31/50/1306113150.db2.gz WYQHJESYGDPJNL-LJQANCHMSA-N 2 0 331.504 2.362 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCC(C)(C)C)C[C@H]2C)CC1 ZINC001278422140 1310195894 /nfs/dbraw/zinc/19/58/94/1310195894.db2.gz ANZKOEFBGGZIIR-AEFFLSMTSA-N 2 0 333.520 2.347 10 30 EEEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001278632076 1317426120 /nfs/dbraw/zinc/42/61/20/1317426120.db2.gz FDMHHZUAKZNPOX-ROUUACIJSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278668289 1317612024 /nfs/dbraw/zinc/61/20/24/1317612024.db2.gz MXNOYZNNLQXJLL-LJQANCHMSA-N 2 0 349.519 2.036 10 30 EEEERP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001278747302 1317957934 /nfs/dbraw/zinc/95/79/34/1317957934.db2.gz KJVGHBSVLXVKOV-INIZCTEOSA-N 2 0 343.462 2.368 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001279012417 1318991650 /nfs/dbraw/zinc/99/16/50/1318991650.db2.gz NBGQMOBTMPGESF-QZTJIDSGSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001264032034 1322592737 /nfs/dbraw/zinc/59/27/37/1322592737.db2.gz GHJLJXVFJNGRIK-QRQLOZEOSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001264440554 1322703293 /nfs/dbraw/zinc/70/32/93/1322703293.db2.gz GDYNTBXKPRXKCY-KESTWPANSA-N 2 0 345.531 2.396 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265401209 1323132186 /nfs/dbraw/zinc/13/21/86/1323132186.db2.gz NDJSRCJBOOEMIE-RBUKOAKNSA-N 2 0 333.520 2.301 10 30 EEEERP C=CCCC[NH2+]C1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001265741783 1323359707 /nfs/dbraw/zinc/35/97/07/1323359707.db2.gz FZIWHCRVOJODMF-UHFFFAOYSA-N 2 0 337.508 2.080 10 30 EEEERP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266235155 1323818750 /nfs/dbraw/zinc/81/87/50/1323818750.db2.gz SAEBQZILFZQAJH-GOEBONIOSA-N 2 0 327.900 2.442 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC(=C)Cl)C(C)(C)C)CC1 ZINC001284652428 1326647452 /nfs/dbraw/zinc/64/74/52/1326647452.db2.gz INWYNTIRJZEUED-MRXNPFEDSA-N 2 0 339.911 2.205 10 30 EEEERP C=CCOCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001284846045 1326741641 /nfs/dbraw/zinc/74/16/41/1326741641.db2.gz HIORNWOUAOHXFN-SFHVURJKSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001316642800 1327338355 /nfs/dbraw/zinc/33/83/55/1327338355.db2.gz WCVRDBPDBUZAKR-UAPYVXQJSA-N 2 0 333.520 2.252 10 30 EEEERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001491578834 1330171713 /nfs/dbraw/zinc/17/17/13/1330171713.db2.gz HLESIZUDFWANJZ-HZPDHXFCSA-N 2 0 347.890 2.128 10 30 EEEERP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001316713189 1331858732 /nfs/dbraw/zinc/85/87/32/1331858732.db2.gz QMOIEXNXCRINCY-QRVBRYPASA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001317365649 1332197126 /nfs/dbraw/zinc/19/71/26/1332197126.db2.gz FEFLVNLDQVLLRX-UHFFFAOYSA-N 2 0 341.499 2.333 10 30 EEEERP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001317367955 1332198341 /nfs/dbraw/zinc/19/83/41/1332198341.db2.gz FCGCEMVKPCBILS-FQEVSTJZSA-N 2 0 327.472 2.107 10 30 EEEERP C=CCCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001317461286 1332252944 /nfs/dbraw/zinc/25/29/44/1332252944.db2.gz KVMSKGBAHNURAD-MOPGFXCFSA-N 2 0 329.488 2.346 10 30 EEEERP C=CCOCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001318149625 1332479448 /nfs/dbraw/zinc/47/94/48/1332479448.db2.gz SGCINLUATCDGKE-IBGZPJMESA-N 2 0 349.519 2.034 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1Cl ZINC001321418863 1333100538 /nfs/dbraw/zinc/10/05/38/1333100538.db2.gz KXFCIQZQKRPTKZ-SREVYHEPSA-N 2 0 347.890 2.294 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001322088817 1333207331 /nfs/dbraw/zinc/20/73/31/1333207331.db2.gz OWLCIZNPENNEIG-PKOBYXMFSA-N 2 0 327.472 2.007 10 30 EEEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc(CN(C)C)on2)C1 ZINC001325416202 1333882203 /nfs/dbraw/zinc/88/22/03/1333882203.db2.gz KWDRXYMFVMNOOV-CABCVRRESA-N 2 0 334.464 2.143 10 30 EEEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001325740808 1333950975 /nfs/dbraw/zinc/95/09/75/1333950975.db2.gz OMLBRXHEUZMZAG-ZJPYXAASSA-N 2 0 339.499 2.411 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001326225212 1334047984 /nfs/dbraw/zinc/04/79/84/1334047984.db2.gz SQSGAHXFUGVQMI-PBHICJAKSA-N 2 0 346.500 2.042 10 30 EEEERP C#CC[N@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](CC)CC)cccc2C1 ZINC001326675610 1334140807 /nfs/dbraw/zinc/14/08/07/1334140807.db2.gz QAJFMDXXKAXMIE-HXUWFJFHSA-N 2 0 341.499 2.415 10 30 EEEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001328686670 1334499313 /nfs/dbraw/zinc/49/93/13/1334499313.db2.gz LMKGNMPMWKSXTF-XUVXKRRUSA-N 2 0 339.483 2.276 10 30 EEEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@@H]1C ZINC001331920234 1335675943 /nfs/dbraw/zinc/67/59/43/1335675943.db2.gz WMDXZUXFNMKCDC-MJGOQNOKSA-N 2 0 329.488 2.316 10 30 EEEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001333121910 1335966937 /nfs/dbraw/zinc/96/69/37/1335966937.db2.gz WSAOQRYAHMRRMM-UHFFFAOYSA-N 2 0 329.488 2.316 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001569587281 1342904121 /nfs/dbraw/zinc/90/41/21/1342904121.db2.gz MXEAMZBFEKLEIF-ZHALLVOQSA-N 2 0 333.520 2.299 10 30 EEEERP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001569859578 1342959643 /nfs/dbraw/zinc/95/96/43/1342959643.db2.gz AFQMMXFGCYLJEM-RDGPPVDQSA-N 2 0 333.520 2.489 10 30 EEEERP C#CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1CC ZINC001656728111 1354269029 /nfs/dbraw/zinc/26/90/29/1354269029.db2.gz YAWKQHAZJHJLDH-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP CC#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1CC ZINC001656727597 1354269493 /nfs/dbraw/zinc/26/94/93/1354269493.db2.gz NILPNVWYWNPAAZ-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]C/C=C\Cl)CC2)CC1 ZINC001662142036 1354754632 /nfs/dbraw/zinc/75/46/32/1354754632.db2.gz LGTPXOXNLCZIIX-KMKOMSMNSA-N 2 0 337.895 2.101 10 30 EEEERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001662394588 1354790299 /nfs/dbraw/zinc/79/02/99/1354790299.db2.gz LYYPSOBDYNJVIG-YJBOKZPZSA-N 2 0 349.906 2.372 10 30 EEEERP C=CC[NH2+]CCc1ccc(CNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001662805690 1354851363 /nfs/dbraw/zinc/85/13/63/1354851363.db2.gz UNCZPXYGEJVXAX-UHFFFAOYSA-N 2 0 341.499 2.497 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC=C)CC2)CC1 ZINC001673406752 1354852390 /nfs/dbraw/zinc/85/23/90/1354852390.db2.gz IWPBRQLHPBJCBE-LJQANCHMSA-N 2 0 331.504 2.269 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001667176711 1355665182 /nfs/dbraw/zinc/66/51/82/1355665182.db2.gz PXHLAIOOEQUARK-ZBFHGGJFSA-N 2 0 333.501 2.273 10 30 EEEERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001669395366 1356154392 /nfs/dbraw/zinc/15/43/92/1356154392.db2.gz AJGVXCADTDVSEE-APWZRJJASA-N 2 0 347.478 2.392 10 30 EEEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001671784729 1356413997 /nfs/dbraw/zinc/41/39/97/1356413997.db2.gz KSCGFMBSIKDEIA-MOPGFXCFSA-N 2 0 337.483 2.050 10 30 EEEERP CCC[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001698772111 1405052789 /nfs/dbraw/zinc/05/27/89/1405052789.db2.gz LQCPESJCTIBXHY-INIZCTEOSA-N 2 0 349.906 2.375 10 30 EEEERP CC#CC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001698956311 1405188160 /nfs/dbraw/zinc/18/81/60/1405188160.db2.gz SKHOLTDQGNHEHV-HDICACEKSA-N 2 0 333.520 2.443 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](CCCC)C2)CC1 ZINC001699878876 1405545522 /nfs/dbraw/zinc/54/55/22/1405545522.db2.gz DEPVWWGTAABFDH-HXUWFJFHSA-N 2 0 333.520 2.350 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCOCC1 ZINC001699884033 1405549879 /nfs/dbraw/zinc/54/98/79/1405549879.db2.gz AJIMGILZPDDYNT-MSOLQXFVSA-N 2 0 349.519 2.225 10 30 EEEERP C=C(C[NH+](C)C)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001136471148 786815807 /nfs/dbraw/zinc/81/58/07/786815807.db2.gz KGKMUQRZAGFSLB-UHFFFAOYSA-N 2 0 345.487 2.141 10 30 EEEERP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001437949097 1090546169 /nfs/dbraw/zinc/54/61/69/1090546169.db2.gz OITARJHAKAAIMB-RBUKOAKNSA-N 2 0 342.487 2.227 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001438766588 1091342170 /nfs/dbraw/zinc/34/21/70/1091342170.db2.gz HTGWELWUIGYIKQ-CABCVRRESA-N 2 0 325.884 2.051 10 30 EEEERP CCCC[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441144586 1094481710 /nfs/dbraw/zinc/48/17/10/1094481710.db2.gz ZQFLXCSCRYTONO-CABCVRRESA-N 2 0 348.516 2.336 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC001441930717 1096119071 /nfs/dbraw/zinc/11/90/71/1096119071.db2.gz XHXDAPNSXXZLNA-ROUUACIJSA-N 2 0 349.906 2.398 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442206119 1096491622 /nfs/dbraw/zinc/49/16/22/1096491622.db2.gz PFGORKNPOPOLNK-RBUKOAKNSA-N 2 0 342.487 2.415 10 30 EEEERP C=C(Br)C[NH2+]C[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001444136390 1098650688 /nfs/dbraw/zinc/65/06/88/1098650688.db2.gz UKGBSDQROJCICS-HIFRSBDPSA-N 2 0 346.313 2.110 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001479739787 1098857058 /nfs/dbraw/zinc/85/70/58/1098857058.db2.gz MBIMGMHAXYAXFH-IBGZPJMESA-N 2 0 327.472 2.308 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001444702355 1099559289 /nfs/dbraw/zinc/55/92/89/1099559289.db2.gz WDHCXAVKQRHDFF-KSSFIOAISA-N 2 0 348.466 2.220 10 30 EEEERP C=C(Br)C[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001444775004 1099676731 /nfs/dbraw/zinc/67/67/31/1099676731.db2.gz KPFSJZUZICMNGP-AWEZNQCLSA-N 2 0 346.313 2.111 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001496272482 1100850931 /nfs/dbraw/zinc/85/09/31/1100850931.db2.gz PYCISOPMBCPJQZ-HZPDHXFCSA-N 2 0 327.900 2.201 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001495211554 1100894332 /nfs/dbraw/zinc/89/43/32/1100894332.db2.gz ONZWOLSOSBKWPU-UHFFFAOYSA-N 2 0 342.487 2.417 10 30 EEEERP C#CC[NH2+]C[C@]1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCC[C@@H]1C ZINC001495325092 1101032703 /nfs/dbraw/zinc/03/27/03/1101032703.db2.gz LMWGBACBNMVHJE-LAUBAEHRSA-N 2 0 345.531 2.396 10 30 EEEERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001447872739 1103487539 /nfs/dbraw/zinc/48/75/39/1103487539.db2.gz SGAKZNBBOXFCFN-ZIAGYGMSSA-N 2 0 346.450 2.164 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001494082367 1103492354 /nfs/dbraw/zinc/49/23/54/1103492354.db2.gz FAOUGIJFYVBNNY-KRWDZBQOSA-N 2 0 342.487 2.227 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001447903336 1103560163 /nfs/dbraw/zinc/56/01/63/1103560163.db2.gz DMGMOISAAFEWPN-ZIAGYGMSSA-N 2 0 334.439 2.022 10 30 EEEERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001480785281 1107113975 /nfs/dbraw/zinc/11/39/75/1107113975.db2.gz KUFVHPXGYYKFTP-MJGOQNOKSA-N 2 0 327.472 2.007 10 30 EEEERP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)CCN1C(=O)CC[NH+](C)C ZINC001499844360 1112509783 /nfs/dbraw/zinc/50/97/83/1112509783.db2.gz MXRRISRRCMSMMA-RHSMWYFYSA-N 2 0 346.450 2.118 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCCCCF)CC1 ZINC001499955636 1112555022 /nfs/dbraw/zinc/55/50/22/1112555022.db2.gz VSMOQHAMQNPFNI-GOSISDBHSA-N 2 0 337.483 2.052 10 30 EEEERP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001500054604 1112595064 /nfs/dbraw/zinc/59/50/64/1112595064.db2.gz RPPBYJJOFQODIL-MRXNPFEDSA-N 2 0 325.472 2.003 10 30 EEEERP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(C)CC1 ZINC001501199890 1113239221 /nfs/dbraw/zinc/23/92/21/1113239221.db2.gz HBZGKOQAJCQTCD-UHFFFAOYSA-N 2 0 341.499 2.360 10 30 EEEERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001568963983 1125000354 /nfs/dbraw/zinc/00/03/54/1125000354.db2.gz MBOOBUGUEADNSL-UPHRSURJSA-N 2 0 345.874 2.049 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001569302731 1125219800 /nfs/dbraw/zinc/21/98/00/1125219800.db2.gz AZSIPQMSYUSNEL-HKUYNNGSSA-N 2 0 331.504 2.149 10 30 EEEERP C[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)CN1CC[NH+](C)CC1 ZINC000594918939 468722538 /nfs/dbraw/zinc/72/25/38/468722538.db2.gz CSEHZWSFJCUGBS-KRWDZBQOSA-N 2 0 326.488 2.215 10 30 EEEERP CCc1cnc(CNC(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)=[NH+]C)s1 ZINC000262805168 688517946 /nfs/dbraw/zinc/51/79/46/688517946.db2.gz RZVISAYVTKBMGW-AGUYFDCRSA-N 2 0 335.521 2.386 10 30 EEEERP CC[C@H](C(=O)NCC[C@@H]([NH2+]CC#Cc1ccccc1)C(C)C)[NH+](C)C ZINC001485791969 1191954958 /nfs/dbraw/zinc/95/49/58/1191954958.db2.gz QPJFFGRGBVCGGS-WOJBJXKFSA-N 2 0 343.515 2.499 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001266939298 1177852939 /nfs/dbraw/zinc/85/29/39/1177852939.db2.gz FBMJXBLIUBKXPD-MJGOQNOKSA-N 2 0 327.472 2.005 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001691319775 1177904885 /nfs/dbraw/zinc/90/48/85/1177904885.db2.gz VHFOPZOUCDFULJ-UHFFFAOYSA-N 2 0 348.516 2.432 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001266994345 1178052405 /nfs/dbraw/zinc/05/24/05/1178052405.db2.gz LPJIBXPOHPOVHB-MSOLQXFVSA-N 2 0 341.499 2.496 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001267779987 1180517959 /nfs/dbraw/zinc/51/79/59/1180517959.db2.gz YEAKGMWQPRQNPP-OVKVCFKUSA-N 2 0 331.504 2.221 10 30 EEEERP CCC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268115838 1181761279 /nfs/dbraw/zinc/76/12/79/1181761279.db2.gz YVTWMVDPIWDEAO-GOSISDBHSA-N 2 0 329.488 2.207 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)C12CCC[NH+]1CCC2 ZINC001268461290 1182757061 /nfs/dbraw/zinc/75/70/61/1182757061.db2.gz NXBPFGXCVOGFKD-UHFFFAOYSA-N 2 0 340.471 2.125 10 30 EEEERP CCN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)CC[N@H+](C)CC ZINC001268488059 1182968682 /nfs/dbraw/zinc/96/86/82/1182968682.db2.gz ONJWQKSREVELPP-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001482017576 1183137573 /nfs/dbraw/zinc/13/75/73/1183137573.db2.gz AJCWVPBWXVFWHQ-VAMGGRTRSA-N 2 0 341.499 2.395 10 30 EEEERP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482109679 1183339247 /nfs/dbraw/zinc/33/92/47/1183339247.db2.gz HIASCWMBTBIYMQ-TZMCWYRMSA-N 2 0 346.313 2.111 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001270296613 1184997121 /nfs/dbraw/zinc/99/71/21/1184997121.db2.gz RNSJVLOTPLTKFK-GOSISDBHSA-N 2 0 333.520 2.443 10 30 EEEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cnn(-c2ccncc2)c1 ZINC001482397764 1185607205 /nfs/dbraw/zinc/60/72/05/1185607205.db2.gz DMZWBTBRBXJVHL-MRXNPFEDSA-N 2 0 327.432 2.187 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001271645050 1186356109 /nfs/dbraw/zinc/35/61/09/1186356109.db2.gz LQDWZYACWBGSHY-IRXDYDNUSA-N 2 0 333.520 2.489 10 30 EEEERP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001482665320 1187543597 /nfs/dbraw/zinc/54/35/97/1187543597.db2.gz JGHPPFQPIREMIM-RBUKOAKNSA-N 2 0 331.504 2.199 10 30 EEEERP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001279156797 1193551671 /nfs/dbraw/zinc/55/16/71/1193551671.db2.gz YJWBPWPORJYYRA-KXBFYZLASA-N 2 0 337.483 2.049 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)c1cccc2nccn21 ZINC001483149508 1188870181 /nfs/dbraw/zinc/87/01/81/1188870181.db2.gz PWGWPFIVRLIFHF-MRXNPFEDSA-N 2 0 332.407 2.094 10 30 EEEERP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001483681061 1190742432 /nfs/dbraw/zinc/74/24/32/1190742432.db2.gz CUHHAZOHJOMTFK-ZCNNSNEGSA-N 2 0 341.499 2.489 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001272456501 1190831535 /nfs/dbraw/zinc/83/15/35/1190831535.db2.gz GILTZBBOOPFYFL-PKOBYXMFSA-N 2 0 331.504 2.245 10 30 EEEERP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001483812432 1191056763 /nfs/dbraw/zinc/05/67/63/1191056763.db2.gz KBDLCNCFKFYJNM-MOPGFXCFSA-N 2 0 331.504 2.341 10 30 EEEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001484093219 1191207439 /nfs/dbraw/zinc/20/74/39/1191207439.db2.gz FOHZITPISDQOOD-XLIONFOSSA-N 2 0 331.504 2.102 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272977045 1194285666 /nfs/dbraw/zinc/28/56/66/1194285666.db2.gz JFFILVDEPRDDSO-HBFSDRIKSA-N 2 0 341.499 2.253 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000876767324 1199765075 /nfs/dbraw/zinc/76/50/75/1199765075.db2.gz GPQHHFQUHQDIGP-XOKHGSTOSA-N 2 0 335.879 2.483 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000876779911 1199771274 /nfs/dbraw/zinc/77/12/74/1199771274.db2.gz NTEFIDQGZZXBFH-MRXNPFEDSA-N 2 0 336.867 2.237 10 30 EEEERP COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666481 1201574369 /nfs/dbraw/zinc/57/43/69/1201574369.db2.gz SPYNHNVBTAKKMO-BZSNNMDCSA-N 2 0 327.428 2.094 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274759903 1205155287 /nfs/dbraw/zinc/15/52/87/1205155287.db2.gz HXPNFACOUHRRCR-BFYDXBDKSA-N 2 0 347.890 2.126 10 30 EEEERP C[C@H](CN(C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001275720764 1205498760 /nfs/dbraw/zinc/49/87/60/1205498760.db2.gz MOCAAUNBIWPCAR-NVXWUHKLSA-N 2 0 347.890 2.080 10 30 EEEERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000926661168 1206235989 /nfs/dbraw/zinc/23/59/89/1206235989.db2.gz MAJSAEOUKXYQCC-PMSBKCLSSA-N 2 0 338.499 2.452 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000928652897 1206407942 /nfs/dbraw/zinc/40/79/42/1206407942.db2.gz QQRJNLUPRXHUEM-UHFFFAOYSA-N 2 0 325.456 2.110 10 30 EEEERP CCCCCCNC(=[NH2+])NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000303904627 1213923927 /nfs/dbraw/zinc/92/39/27/1213923927.db2.gz VAQIXNZWAKLFHJ-UHFFFAOYSA-N 2 0 346.523 2.208 10 30 EEEERP C[N@H+](CC(=O)NC[C@H]([NH2+]CC#Cc1ccccc1)C1CC1)C1CCC1 ZINC001490673949 1291557962 /nfs/dbraw/zinc/55/79/62/1291557962.db2.gz NANCWDKPDWWWKY-FQEVSTJZSA-N 2 0 339.483 2.007 10 30 EEEERP O=C(C#CC1CC[NH2+]CC1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000852858999 1292218498 /nfs/dbraw/zinc/21/84/98/1292218498.db2.gz LDACFACDFJMVPH-HXUWFJFHSA-N 2 0 339.483 2.333 10 30 EEEERP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000852865394 1292219218 /nfs/dbraw/zinc/21/92/18/1292219218.db2.gz BJSBAUZKGCLOCJ-IBGZPJMESA-N 2 0 331.504 2.104 10 30 EEEERP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278747887 1317957519 /nfs/dbraw/zinc/95/75/19/1317957519.db2.gz ULVKLYLKMOVTGB-CABCVRRESA-N 2 0 331.451 2.222 10 30 EEEERP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccc(OC)cc1 ZINC001264767827 1322811816 /nfs/dbraw/zinc/81/18/16/1322811816.db2.gz ZAURFIFWGLBWCE-RBUKOAKNSA-N 2 0 345.487 2.107 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001265235978 1323002943 /nfs/dbraw/zinc/00/29/43/1323002943.db2.gz ZTTDTZWTDQHVPY-MJGOQNOKSA-N 2 0 331.504 2.267 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001266040504 1323590078 /nfs/dbraw/zinc/59/00/78/1323590078.db2.gz LTLHOXCSMOPQMF-MRXNPFEDSA-N 2 0 327.900 2.443 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266074627 1323630236 /nfs/dbraw/zinc/63/02/36/1323630236.db2.gz CAFKOOBFXZGZNT-PMACEKPBSA-N 2 0 341.499 2.397 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H](C)C1 ZINC001281682678 1325398208 /nfs/dbraw/zinc/39/82/08/1325398208.db2.gz LMCRWHVWYGOZCS-ICSRJNTNSA-N 2 0 341.499 2.347 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#Cc2ccccc2)[C@H](C)C1 ZINC001281682680 1325399751 /nfs/dbraw/zinc/39/97/51/1325399751.db2.gz LMCRWHVWYGOZCS-UYAOXDASSA-N 2 0 341.499 2.347 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001281967522 1325542553 /nfs/dbraw/zinc/54/25/53/1325542553.db2.gz HUNDBVNCUGAQRX-RBUKOAKNSA-N 2 0 333.520 2.443 10 30 EEEERP C#CCC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001283334699 1326015985 /nfs/dbraw/zinc/01/59/85/1326015985.db2.gz LTQKJGPJRWNBJE-UHFFFAOYSA-N 2 0 331.504 2.055 10 30 EEEERP CC#CC[NH+]1CCC(C2(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001284853445 1326745474 /nfs/dbraw/zinc/74/54/74/1326745474.db2.gz QTODVNBXFOXKNA-IRXDYDNUSA-N 2 0 331.504 2.243 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001491683249 1330204798 /nfs/dbraw/zinc/20/47/98/1330204798.db2.gz RDDNCHGUEBXMLF-MAUKXSAKSA-N 2 0 328.460 2.027 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317189779 1332123044 /nfs/dbraw/zinc/12/30/44/1332123044.db2.gz TZIWYKFWMMOPKP-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[NH2+]CCc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001317365592 1332197108 /nfs/dbraw/zinc/19/71/08/1332197108.db2.gz DOOFPAQQMHPWKR-FQEVSTJZSA-N 2 0 341.499 2.333 10 30 EEEERP C=CC[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001317882570 1332440697 /nfs/dbraw/zinc/44/06/97/1332440697.db2.gz QUEZDXIHIQSYMK-UHFFFAOYSA-N 2 0 333.520 2.465 10 30 EEEERP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001325056385 1333820425 /nfs/dbraw/zinc/82/04/25/1333820425.db2.gz ZANYNGZVMAWAND-HZPDHXFCSA-N 2 0 343.462 2.368 10 30 EEEERP C=C(C)C[NH2+]C1CCC(N(C)C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001329255470 1334615450 /nfs/dbraw/zinc/61/54/50/1334615450.db2.gz CHCDSQOBLAOLQT-UHFFFAOYSA-N 2 0 337.508 2.033 10 30 EEEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001500352664 1342178212 /nfs/dbraw/zinc/17/82/12/1342178212.db2.gz ZATBZUPQYCQDNI-SFHVURJKSA-N 2 0 333.501 2.275 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001567183807 1342706765 /nfs/dbraw/zinc/70/67/65/1342706765.db2.gz PIBGWDKQVLROAL-HXUWFJFHSA-N 2 0 341.499 2.331 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001569828845 1342954415 /nfs/dbraw/zinc/95/44/15/1342954415.db2.gz PIRUXDBFUSNSOI-VQIMIIECSA-N 2 0 327.472 2.212 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001571512729 1343225120 /nfs/dbraw/zinc/22/51/20/1343225120.db2.gz KECFACVBSNLNIK-SLFFLAALSA-N 2 0 345.531 2.493 10 30 EEEERP C=CC[NH2+][C@H](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC001676898400 1357237595 /nfs/dbraw/zinc/23/75/95/1357237595.db2.gz NJZHVCUKYMEFQY-LJQANCHMSA-N 2 0 329.488 2.221 10 30 EEEERP C=C(C[NH+](C)C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC001629151465 1352549017 /nfs/dbraw/zinc/54/90/17/1352549017.db2.gz JQLCOGNOJJKNGQ-HNNXBMFYSA-N 2 0 331.460 2.464 10 30 EEEERP CC[C@@H](C(=O)NCCC[N@H+](CC)CC#Cc1ccccc1)[NH+](C)C ZINC001660589287 1354494973 /nfs/dbraw/zinc/49/49/73/1354494973.db2.gz OLEQHLITRNJSKS-IBGZPJMESA-N 2 0 329.488 2.207 10 30 EEEERP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001661079291 1354587875 /nfs/dbraw/zinc/58/78/75/1354587875.db2.gz XCTFALWCMUWLTF-RTBURBONSA-N 2 0 345.531 2.491 10 30 EEEERP CC[C@@H](C(=O)N(C)CC[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001664178273 1355108087 /nfs/dbraw/zinc/10/80/87/1355108087.db2.gz LPHFVYDKPKYKBX-IBGZPJMESA-N 2 0 329.488 2.207 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CCCC=C)C2)CC1 ZINC001664858408 1355244237 /nfs/dbraw/zinc/24/42/37/1355244237.db2.gz FRGYVMIACQCTRI-SFHVURJKSA-N 2 0 331.504 2.078 10 30 EEEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001671504028 1356352046 /nfs/dbraw/zinc/35/20/46/1356352046.db2.gz KYEUJGICSQBZQJ-HXUWFJFHSA-N 2 0 341.499 2.453 10 30 EEEERP CC#CC[NH+]1CCc2c(CNC(=O)CC[N@@H+](C)CC)cccc2C1 ZINC001673079788 1356644263 /nfs/dbraw/zinc/64/42/63/1356644263.db2.gz OLFFSVAXHVGPCV-UHFFFAOYSA-N 2 0 327.472 2.026 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001674429278 1356830401 /nfs/dbraw/zinc/83/04/01/1356830401.db2.gz CSZCYOSSCOQWPZ-QXAKKESOSA-N 2 0 327.472 2.276 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)C(C)C ZINC001681567417 1358033526 /nfs/dbraw/zinc/03/35/26/1358033526.db2.gz FAQWKOOOTHBNKL-FCGDIQPGSA-N 2 0 348.535 2.324 10 30 EEEERP N#Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cs1 ZINC000921981390 798551260 /nfs/dbraw/zinc/55/12/60/798551260.db2.gz TWLKRQLPPBFVMO-QGZVFWFLSA-N 2 0 327.453 2.476 10 30 EEEERP C[C@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001437380067 1089626717 /nfs/dbraw/zinc/62/67/17/1089626717.db2.gz OHJIQDWICPHQDM-CABCVRRESA-N 2 0 348.516 2.479 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001439323809 1091999247 /nfs/dbraw/zinc/99/92/47/1091999247.db2.gz GIRSXMWMNMSJON-ZYSHUDEJSA-N 2 0 342.487 2.225 10 30 EEEERP CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccc(C#N)c(F)c2)CC1)[NH+](C)C ZINC001439644347 1092567536 /nfs/dbraw/zinc/56/75/36/1092567536.db2.gz COXYBRTYKAYQNP-QGZVFWFLSA-N 2 0 346.450 2.022 10 30 EEEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC001441930707 1096118807 /nfs/dbraw/zinc/11/88/07/1096118807.db2.gz XHXDAPNSXXZLNA-QZTJIDSGSA-N 2 0 349.906 2.398 10 30 EEEERP C[NH+](CC(=O)NCCC[N@@H+](C)CC#Cc1ccccc1)CC(C)(C)C ZINC001479796227 1099010630 /nfs/dbraw/zinc/01/06/30/1099010630.db2.gz DIEPXMIKUZINFF-UHFFFAOYSA-N 2 0 343.515 2.454 10 30 EEEERP C[NH+](C)CCC(=O)NC1CCC([NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001480407640 1100222920 /nfs/dbraw/zinc/22/29/20/1100222920.db2.gz BBQIFZKEZSGSHA-UHFFFAOYSA-N 2 0 345.462 2.146 10 30 EEEERP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001496442648 1101032732 /nfs/dbraw/zinc/03/27/32/1101032732.db2.gz GVLXXMKEUGFSDP-QZTJIDSGSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H](F)CC)CC2)CC1 ZINC001495479958 1101189653 /nfs/dbraw/zinc/18/96/53/1101189653.db2.gz QMGORGANZJHORG-KZNAEPCWSA-N 2 0 337.483 2.097 10 30 EEEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494022545 1103369783 /nfs/dbraw/zinc/36/97/83/1103369783.db2.gz VGCHFKQYMOOSDI-HKUYNNGSSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1 ZINC001480715489 1106945735 /nfs/dbraw/zinc/94/57/35/1106945735.db2.gz ZKHNQSWDBBDTMG-PMACEKPBSA-N 2 0 339.483 2.085 10 30 EEEERP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)CCN1C(=O)CC[NH+](C)C ZINC001499844362 1112509758 /nfs/dbraw/zinc/50/97/58/1112509758.db2.gz MXRRISRRCMSMMA-WMLDXEAASA-N 2 0 346.450 2.118 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCC(=C)C)CC1 ZINC001500037621 1112588026 /nfs/dbraw/zinc/58/80/26/1112588026.db2.gz JLBXKKCJINKFBD-IEBWSBKVSA-N 2 0 331.504 2.219 10 30 EEEERP C#CC[NH+]1CCC(C)(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001500439732 1112833275 /nfs/dbraw/zinc/83/32/75/1112833275.db2.gz RCEIQTAGCMWCIR-UHFFFAOYSA-N 2 0 341.499 2.256 10 30 EEEERP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001501058361 1113184028 /nfs/dbraw/zinc/18/40/28/1113184028.db2.gz NINYJYXWILXBEV-CVEARBPZSA-N 2 0 339.443 2.284 10 30 EEEERP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001501172153 1113227045 /nfs/dbraw/zinc/22/70/45/1113227045.db2.gz QCHXEPGXCOSSKV-BCDXTJNWSA-N 2 0 331.504 2.408 10 30 EEEERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001505677243 1114125570 /nfs/dbraw/zinc/12/55/70/1114125570.db2.gz FWOUDOYGOCSSBT-KBPBESRZSA-N 2 0 334.439 2.022 10 30 EEEERP CC(C)N(CC[N@H+](C)Cc1ccc(C#N)c(F)c1)C(=O)CC[NH+](C)C ZINC001507831291 1115354208 /nfs/dbraw/zinc/35/42/08/1115354208.db2.gz INLMLAVCGCBOKE-UHFFFAOYSA-N 2 0 348.466 2.318 10 30 EEEERP C#CCC[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001568011698 1124229200 /nfs/dbraw/zinc/22/92/00/1124229200.db2.gz MFQXJSKKKJJRHV-UHFFFAOYSA-N 2 0 327.472 2.404 10 30 EEEERP N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000521427769 268285660 /nfs/dbraw/zinc/28/56/60/268285660.db2.gz RZVJBLGSZBCXFT-UHFFFAOYSA-N 2 0 349.500 2.188 10 30 EEEERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000591728892 468511984 /nfs/dbraw/zinc/51/19/84/468511984.db2.gz VCKHTUCCACFLNY-IBGZPJMESA-N 2 0 345.487 2.204 10 30 EEEERP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594435419 468585825 /nfs/dbraw/zinc/58/58/25/468585825.db2.gz DVQVIVVECNYHKK-ZWKOTPCHSA-N 2 0 328.460 2.131 10 30 EEEERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000602583717 469371637 /nfs/dbraw/zinc/37/16/37/469371637.db2.gz RVFRMFXVNNFQMM-NZSAHSFTSA-N 2 0 342.487 2.282 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659450353 471634358 /nfs/dbraw/zinc/63/43/58/471634358.db2.gz MRSSJJNXRSQRTG-KRWDZBQOSA-N 2 0 334.508 2.058 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662449340 472112762 /nfs/dbraw/zinc/11/27/62/472112762.db2.gz YIDVIODQMVPNLF-KRWDZBQOSA-N 2 0 327.472 2.445 10 30 EEEERP CC[N@@H+]1CCC[C@@H]1CN(C)C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)=[NH+]C ZINC000262379433 679420085 /nfs/dbraw/zinc/42/00/85/679420085.db2.gz KECZCICREBAIHM-YYIAUSFCSA-N 2 0 336.524 2.182 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000914331092 683502577 /nfs/dbraw/zinc/50/25/77/683502577.db2.gz JJXMWBOMBWUDEL-CALCHBBNSA-N 2 0 348.535 2.140 10 30 EEEERP C[NH+]=C(NCC[N@H+](C)C1CCCCC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262443715 686103988 /nfs/dbraw/zinc/10/39/88/686103988.db2.gz IFEOORJZRNFJHC-MRXNPFEDSA-N 2 0 346.523 2.049 10 30 EEEERP C=CCCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001485557421 1191835275 /nfs/dbraw/zinc/83/52/75/1191835275.db2.gz ALVWVHOTVRRTNK-UYAOXDASSA-N 2 0 349.519 2.130 10 30 EEEERP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001485656115 1191874292 /nfs/dbraw/zinc/87/42/92/1191874292.db2.gz BXILHXIBVUSRGL-FHWLQOOXSA-N 2 0 331.504 2.102 10 30 EEEERP C=C(C)C[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001691159904 1177655409 /nfs/dbraw/zinc/65/54/09/1177655409.db2.gz NOLVJIXYVNQMPB-IBGZPJMESA-N 2 0 329.488 2.175 10 30 EEEERP C=CCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001481059780 1179651808 /nfs/dbraw/zinc/65/18/08/1179651808.db2.gz PIKJLEHCIFNRPH-MSOLQXFVSA-N 2 0 337.508 2.033 10 30 EEEERP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001481120045 1179799969 /nfs/dbraw/zinc/79/99/69/1179799969.db2.gz WEMOEXRKRMLAIB-MJGOQNOKSA-N 2 0 327.472 2.141 10 30 EEEERP C#CCC[N@@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001267758605 1180426427 /nfs/dbraw/zinc/42/64/27/1180426427.db2.gz NVOZOUPEUMXNPS-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP CC#CC[NH2+]C[C@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001267873077 1180663762 /nfs/dbraw/zinc/66/37/62/1180663762.db2.gz HHNPGAYQBHHPHX-YLJYHZDGSA-N 2 0 333.520 2.396 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001482172860 1183500117 /nfs/dbraw/zinc/50/01/17/1183500117.db2.gz ZPXREHOZJIZMPG-GOSISDBHSA-N 2 0 341.499 2.182 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001268629948 1183554228 /nfs/dbraw/zinc/55/42/28/1183554228.db2.gz BDXOPANWKHXBFU-LAQIPUCWSA-N 2 0 346.500 2.256 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H]1CCc2ccccc21 ZINC001268798972 1183719166 /nfs/dbraw/zinc/71/91/66/1183719166.db2.gz RWJXKKOZWYXTID-UXHICEINSA-N 2 0 339.483 2.210 10 30 EEEERP CN(CCC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268945491 1183836985 /nfs/dbraw/zinc/83/69/85/1183836985.db2.gz DTSZASBAIJWXTK-QGZVFWFLSA-N 2 0 347.890 2.081 10 30 EEEERP CN(CCC[NH2+]Cc1cccc(C#N)c1)C(=O)CC[NH+]1CCCCC1 ZINC001268958241 1183850455 /nfs/dbraw/zinc/85/04/55/1183850455.db2.gz JCXZYPIQZZNSEI-UHFFFAOYSA-N 2 0 342.487 2.372 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]Cc2ccccc2C)CC1 ZINC001268957582 1183850620 /nfs/dbraw/zinc/85/06/20/1183850620.db2.gz FMAZUJRUWYZKGI-UHFFFAOYSA-N 2 0 341.499 2.278 10 30 EEEERP CC#CC[NH2+]C[C@](C)(NC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001269644438 1184468101 /nfs/dbraw/zinc/46/81/01/1184468101.db2.gz FSGUWVAYBSKPEH-FQEVSTJZSA-N 2 0 331.504 2.006 10 30 EEEERP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001482901398 1187813784 /nfs/dbraw/zinc/81/37/84/1187813784.db2.gz KAGNEDHMHMBGAN-AWEZNQCLSA-N 2 0 346.313 2.255 10 30 EEEERP CC[C@H](C(=O)N[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)C1CC1)[NH+](C)C ZINC001483568162 1190557122 /nfs/dbraw/zinc/55/71/22/1190557122.db2.gz ASOPKUXQSKKFFE-RBUKOAKNSA-N 2 0 345.462 2.002 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001483943306 1191126054 /nfs/dbraw/zinc/12/60/54/1191126054.db2.gz SZRUVVXEYKXSQP-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001483986237 1191142756 /nfs/dbraw/zinc/14/27/56/1191142756.db2.gz AQUCPFQAFNIQLE-KRWDZBQOSA-N 2 0 333.520 2.301 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001483986731 1191143215 /nfs/dbraw/zinc/14/32/15/1191143215.db2.gz QJWJBVGZWMHCLX-KRWDZBQOSA-N 2 0 337.483 2.003 10 30 EEEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001484093216 1191207356 /nfs/dbraw/zinc/20/73/56/1191207356.db2.gz FOHZITPISDQOOD-FXAWDEMLSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001484558385 1191414630 /nfs/dbraw/zinc/41/46/30/1191414630.db2.gz FIPFLDPNJCJGPU-VQIMIIECSA-N 2 0 327.472 2.461 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C(F)(F)F ZINC001486254560 1193782053 /nfs/dbraw/zinc/78/20/53/1193782053.db2.gz VFDDHDNRZUIAEC-CABCVRRESA-N 2 0 347.425 2.131 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC001486411576 1193919805 /nfs/dbraw/zinc/91/98/05/1193919805.db2.gz SWGKAEDOIKTLMJ-OAHLLOKOSA-N 2 0 336.505 2.192 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCO1 ZINC001273286775 1197958282 /nfs/dbraw/zinc/95/82/82/1197958282.db2.gz XFBFENQMLWIAPC-KRWDZBQOSA-N 2 0 342.443 2.040 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000876751193 1199755653 /nfs/dbraw/zinc/75/56/53/1199755653.db2.gz ZKPPEBIQHREKSS-KGLIPLIRSA-N 2 0 325.840 2.311 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000876876319 1199801982 /nfs/dbraw/zinc/80/19/82/1199801982.db2.gz NRNBITHCPGFSHQ-KRWDZBQOSA-N 2 0 337.895 2.479 10 30 EEEERP C=CCOc1cccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000877668237 1200017705 /nfs/dbraw/zinc/01/77/05/1200017705.db2.gz HTBWIKSOARJUMB-RTBURBONSA-N 2 0 331.504 2.423 10 30 EEEERP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001274855102 1205188449 /nfs/dbraw/zinc/18/84/49/1205188449.db2.gz CGZHODSDKKQHAO-FXAWDEMLSA-N 2 0 339.483 2.067 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001275407809 1205344459 /nfs/dbraw/zinc/34/44/59/1205344459.db2.gz WFCPBGQHPVJWFG-RDJZCZTQSA-N 2 0 347.890 2.128 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001275571894 1205422451 /nfs/dbraw/zinc/42/24/51/1205422451.db2.gz RYDJEMMMGMQERS-HZPDHXFCSA-N 2 0 333.451 2.000 10 30 EEEERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC#Cc1ccccc1 ZINC001489133177 1290391624 /nfs/dbraw/zinc/39/16/24/1290391624.db2.gz RCPHKBPUKWXVKB-VQTJNVASSA-N 2 0 341.499 2.349 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001277335311 1302478685 /nfs/dbraw/zinc/47/86/85/1302478685.db2.gz MDACUWRPEVUZLV-INIZCTEOSA-N 2 0 340.471 2.029 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001278128288 1306034251 /nfs/dbraw/zinc/03/42/51/1306034251.db2.gz KTMNGEJFSIEWJI-IBGZPJMESA-N 2 0 333.520 2.443 10 30 EEEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001316652771 1328611958 /nfs/dbraw/zinc/61/19/58/1328611958.db2.gz PQKXJHRCJWRZCP-YQVWRLOYSA-N 2 0 331.504 2.291 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001278609424 1317356707 /nfs/dbraw/zinc/35/67/07/1317356707.db2.gz ZCWWPXALIBXFLT-IEBWSBKVSA-N 2 0 331.504 2.006 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001279012416 1318991833 /nfs/dbraw/zinc/99/18/33/1318991833.db2.gz NBGQMOBTMPGESF-MSOLQXFVSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001265336006 1323083040 /nfs/dbraw/zinc/08/30/40/1323083040.db2.gz NNAWMXJQDCGOFY-QZTJIDSGSA-N 2 0 331.504 2.101 10 30 EEEERP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)CCC[NH+]1CCCCC1)O2 ZINC001280936889 1324653458 /nfs/dbraw/zinc/65/34/58/1324653458.db2.gz RZBYJOSEDZAEKP-GOSISDBHSA-N 2 0 349.519 2.178 10 30 EEEERP C=CCC[C@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)CCC[NH+]1CCCC1)CO2 ZINC001280979454 1324691300 /nfs/dbraw/zinc/69/13/00/1324691300.db2.gz PEUKLHPGDXZJFS-ZWKOTPCHSA-N 2 0 349.519 2.177 10 30 EEEERP C=CCC[NH2+]CC1(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CCOCC1 ZINC001281266020 1324923756 /nfs/dbraw/zinc/92/37/56/1324923756.db2.gz JNKYKFLXGAUOJU-QGZVFWFLSA-N 2 0 337.508 2.082 10 30 EEEERP C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]CC#Cc1ccccc1 ZINC001281768548 1325443732 /nfs/dbraw/zinc/44/37/32/1325443732.db2.gz SKQFMHNDYLSWSP-IBGZPJMESA-N 2 0 341.499 2.399 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)CCC=C)C2)CC1 ZINC001282740972 1325777284 /nfs/dbraw/zinc/77/72/84/1325777284.db2.gz PTCZSLVQBROKFM-DLBZAZTESA-N 2 0 331.504 2.123 10 30 EEEERP C#CCC[NH2+]CCCN(Cc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001283351518 1326024824 /nfs/dbraw/zinc/02/48/24/1326024824.db2.gz WORXIILQDBCVDN-UHFFFAOYSA-N 2 0 339.483 2.114 10 30 EEEERP C=CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001284013114 1326362258 /nfs/dbraw/zinc/36/22/58/1326362258.db2.gz HANMKSMTEOTLHQ-APWZRJJASA-N 2 0 345.487 2.143 10 30 EEEERP C=CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001284013116 1326362324 /nfs/dbraw/zinc/36/23/24/1326362324.db2.gz HANMKSMTEOTLHQ-QFBILLFUSA-N 2 0 345.487 2.143 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC001285016077 1326829784 /nfs/dbraw/zinc/82/97/84/1326829784.db2.gz QMBRBAKZIYMLKH-SJLPKXTDSA-N 2 0 345.462 2.285 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001316727576 1331844460 /nfs/dbraw/zinc/84/44/60/1331844460.db2.gz NJHPAJKIIOTZNP-CABCVRRESA-N 2 0 347.425 2.275 10 30 EEEERP C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001317201159 1332129538 /nfs/dbraw/zinc/12/95/38/1332129538.db2.gz ZBIVNCURDDJXGC-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001317875258 1332438671 /nfs/dbraw/zinc/43/86/71/1332438671.db2.gz DHVGYTUEWYNVFV-IBGZPJMESA-N 2 0 333.520 2.302 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001322341385 1333250121 /nfs/dbraw/zinc/25/01/21/1333250121.db2.gz XBHBVSLVXFRGAS-MSOLQXFVSA-N 2 0 331.504 2.150 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001326439462 1334094627 /nfs/dbraw/zinc/09/46/27/1334094627.db2.gz VPMKZSVWRNFTJW-INIZCTEOSA-N 2 0 331.460 2.196 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001326748087 1334154132 /nfs/dbraw/zinc/15/41/32/1334154132.db2.gz PCFVBOSGRULHAV-LJQANCHMSA-N 2 0 327.472 2.356 10 30 EEEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC001328577573 1334483071 /nfs/dbraw/zinc/48/30/71/1334483071.db2.gz IDNFETIYBXVRDC-QGZVFWFLSA-N 2 0 330.476 2.192 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+](CCC2)C3)c(F)c1 ZINC001333474101 1336055798 /nfs/dbraw/zinc/05/57/98/1336055798.db2.gz XHRLUXQVGGEXCI-UHFFFAOYSA-N 2 0 343.446 2.041 10 30 EEEERP C=CCOCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001566955068 1342659213 /nfs/dbraw/zinc/65/92/13/1342659213.db2.gz HQPASNQFCVVPFS-RTBURBONSA-N 2 0 349.519 2.130 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2CC2)C2CCCC2)CC1 ZINC001569614105 1342909117 /nfs/dbraw/zinc/90/91/17/1342909117.db2.gz MSAOZEPVKIGMPD-LJQANCHMSA-N 2 0 331.504 2.006 10 30 EEEERP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001571650673 1343262364 /nfs/dbraw/zinc/26/23/64/1343262364.db2.gz BOMQTEILEMOAAH-PKOBYXMFSA-N 2 0 333.520 2.347 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001660464732 1354468580 /nfs/dbraw/zinc/46/85/80/1354468580.db2.gz LNAOSERSBOHPIJ-XLIONFOSSA-N 2 0 345.531 2.491 10 30 EEEERP C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001662979126 1354883100 /nfs/dbraw/zinc/88/31/00/1354883100.db2.gz FOQJWXORJYMXOO-QRQLOZEOSA-N 2 0 329.488 2.392 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCC=C)CC1 ZINC001667768692 1355811135 /nfs/dbraw/zinc/81/11/35/1355811135.db2.gz AZTJORMNBFUQFO-MOPGFXCFSA-N 2 0 331.504 2.172 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001669931011 1356242100 /nfs/dbraw/zinc/24/21/00/1356242100.db2.gz VTVNWFCQLFMTPI-INIZCTEOSA-N 2 0 345.462 2.107 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccccc1C#N ZINC001670357944 1356327102 /nfs/dbraw/zinc/32/71/02/1356327102.db2.gz WYZPGSPNKYSXBA-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001671432748 1356338501 /nfs/dbraw/zinc/33/85/01/1356338501.db2.gz XAPMYHHWBVUKER-MSOLQXFVSA-N 2 0 349.519 2.177 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001673407532 1356688575 /nfs/dbraw/zinc/68/85/75/1356688575.db2.gz SMARRHJDLGFJCG-HXUWFJFHSA-N 2 0 341.499 2.349 10 30 EEEERP CN(CCC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699551204 1405388618 /nfs/dbraw/zinc/38/86/18/1405388618.db2.gz PZWZQVATAMMWGZ-QGZVFWFLSA-N 2 0 347.890 2.081 10 30 EEEERP C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000921961231 798421165 /nfs/dbraw/zinc/42/11/65/798421165.db2.gz OSNPSBYSTHBYRH-SFHVURJKSA-N 2 0 328.460 2.027 10 30 EEEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001565970674 1125478771 /nfs/dbraw/zinc/47/87/71/1125478771.db2.gz HGEAHVDXISZNKZ-QYZOEREBSA-N 2 0 333.520 2.348 10 30 EEEERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1ccccc1C#N ZINC001437176740 1089209778 /nfs/dbraw/zinc/20/97/78/1089209778.db2.gz YUMJMWDGPOCLAO-INIZCTEOSA-N 2 0 340.471 2.029 10 30 EEEERP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc(F)c(C#N)c1 ZINC001437498718 1089880423 /nfs/dbraw/zinc/88/04/23/1089880423.db2.gz PXYOIWQDSLYMRV-UHFFFAOYSA-N 2 0 346.450 2.120 10 30 EEEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001439895443 1092955692 /nfs/dbraw/zinc/95/56/92/1092955692.db2.gz XZABGRKUSXVJEI-KRWDZBQOSA-N 2 0 339.911 2.443 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001440415299 1093608831 /nfs/dbraw/zinc/60/88/31/1093608831.db2.gz MBVHPXTZSVRCJJ-COXVUDFISA-N 2 0 339.911 2.297 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001448775900 1093854130 /nfs/dbraw/zinc/85/41/30/1093854130.db2.gz SOYVJLUEKKKKCU-NSHDSACASA-N 2 0 343.269 2.032 10 30 EEEERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001443870991 1098395659 /nfs/dbraw/zinc/39/56/59/1098395659.db2.gz FSJLPNBPPNAZRG-LJQANCHMSA-N 2 0 340.471 2.077 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444609369 1099436714 /nfs/dbraw/zinc/43/67/14/1099436714.db2.gz COWLPYGXHSKREA-VQIMIIECSA-N 2 0 342.487 2.369 10 30 EEEERP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001480363911 1100138716 /nfs/dbraw/zinc/13/87/16/1100138716.db2.gz CRFAYKRNEIHDSA-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001480492444 1100303850 /nfs/dbraw/zinc/30/38/50/1100303850.db2.gz KLPBFRHICBWKDV-RHSMWYFYSA-N 2 0 348.516 2.334 10 30 EEEERP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496144893 1102132749 /nfs/dbraw/zinc/13/27/49/1102132749.db2.gz JNHTYQDZTZSRKY-BXWFABGCSA-N 2 0 342.487 2.225 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497242019 1102181552 /nfs/dbraw/zinc/18/15/52/1102181552.db2.gz UFGVJQAFCMJAOH-INIZCTEOSA-N 2 0 342.487 2.417 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001447627682 1102996515 /nfs/dbraw/zinc/99/65/15/1102996515.db2.gz MJIWHDSBKQLIBH-LPHOPBHVSA-N 2 0 342.487 2.368 10 30 EEEERP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1F ZINC001447684586 1103113770 /nfs/dbraw/zinc/11/37/70/1103113770.db2.gz YMQQIZWGYWQPNY-HOCLYGCPSA-N 2 0 346.450 2.024 10 30 EEEERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001495095957 1104735501 /nfs/dbraw/zinc/73/55/01/1104735501.db2.gz ZWVJLFMWEWEAQQ-DOTOQJQBSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC(=C)C)CC1 ZINC001498502078 1107644070 /nfs/dbraw/zinc/64/40/70/1107644070.db2.gz FJKQZVVLIZADIU-RTBURBONSA-N 2 0 331.504 2.172 10 30 EEEERP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001493240730 1107752007 /nfs/dbraw/zinc/75/20/07/1107752007.db2.gz UJLVUHGRKNRIQF-CRAIPNDOSA-N 2 0 325.472 2.213 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001499477301 1112307221 /nfs/dbraw/zinc/30/72/21/1112307221.db2.gz BKAYDDMOFKOHAH-FQEVSTJZSA-N 2 0 345.531 2.446 10 30 EEEERP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001500616605 1112979160 /nfs/dbraw/zinc/97/91/60/1112979160.db2.gz GJBNETQBXONONX-CVEARBPZSA-N 2 0 343.462 2.368 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001506882538 1114948489 /nfs/dbraw/zinc/94/84/89/1114948489.db2.gz DHCKFRGWWNMRJE-SHTZXODSSA-N 2 0 327.900 2.488 10 30 EEEERP CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001507152008 1115136247 /nfs/dbraw/zinc/13/62/47/1115136247.db2.gz LBWJFCDMWRWERL-SFHVURJKSA-N 2 0 329.488 2.207 10 30 EEEERP C#CC[NH2+][C@@H](CCNC(=O)CC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001507390359 1115247209 /nfs/dbraw/zinc/24/72/09/1115247209.db2.gz VGVNPMHHQIZBFC-FQEVSTJZSA-N 2 0 341.499 2.059 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001507417276 1115258586 /nfs/dbraw/zinc/25/85/86/1115258586.db2.gz WNQCNQSCWXAACP-PKOBYXMFSA-N 2 0 327.472 2.260 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001568076838 1124282425 /nfs/dbraw/zinc/28/24/25/1124282425.db2.gz SESMQUITECNMRI-IBGZPJMESA-N 2 0 333.520 2.494 10 30 EEEERP C#CCC[NH+](C)CCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001568441394 1124511251 /nfs/dbraw/zinc/51/12/51/1124511251.db2.gz YWWUOTRRAJYPHC-HDICACEKSA-N 2 0 333.520 2.443 10 30 EEEERP CC[C@@H](C(=O)NC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C(C)C)[NH+](C)C ZINC001568461538 1124525096 /nfs/dbraw/zinc/52/50/96/1124525096.db2.gz BKBOSQQXECFRBN-MOPGFXCFSA-N 2 0 347.478 2.248 10 30 EEEERP CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001568800992 1124814227 /nfs/dbraw/zinc/81/42/27/1124814227.db2.gz YNMPLMDHBUJOOV-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001569170131 1125142927 /nfs/dbraw/zinc/14/29/27/1125142927.db2.gz RCPAXNLYLGLKRV-VQTJNVASSA-N 2 0 341.499 2.059 10 30 EEEERP CN(CCC[NH2+]CC#Cc1ccc(F)cc1)C(=O)C1([NH+](C)C)CCC1 ZINC001569209996 1125166747 /nfs/dbraw/zinc/16/67/47/1125166747.db2.gz NOSALHPORYHMQP-UHFFFAOYSA-N 2 0 345.462 2.100 10 30 EEEERP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000594437796 468586480 /nfs/dbraw/zinc/58/64/80/468586480.db2.gz FNNSGMSLHPXLDZ-KBAYOESNSA-N 2 0 328.460 2.177 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC000601019176 468720223 /nfs/dbraw/zinc/72/02/23/468720223.db2.gz DYTNWKXRJXKCIL-RBUKOAKNSA-N 2 0 342.487 2.179 10 30 EEEERP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001266391979 1176465742 /nfs/dbraw/zinc/46/57/42/1176465742.db2.gz BFZITAKABFTCEX-HKUYNNGSSA-N 2 0 333.520 2.443 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1CC ZINC001670582067 1176925062 /nfs/dbraw/zinc/92/50/62/1176925062.db2.gz QCHZRQKCUQQFCK-ZWKOTPCHSA-N 2 0 331.504 2.102 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267092645 1178222104 /nfs/dbraw/zinc/22/21/04/1178222104.db2.gz DTIUOZJXCJMHAQ-UXHICEINSA-N 2 0 341.499 2.395 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001267116735 1178280007 /nfs/dbraw/zinc/28/00/07/1178280007.db2.gz GPAMJSYRORQVCN-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1Cl ZINC001267829250 1180598635 /nfs/dbraw/zinc/59/86/35/1180598635.db2.gz PLYNTPAGKNKBIK-QGZVFWFLSA-N 2 0 347.890 2.272 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CC2CCCC2)C2CC2)CC1 ZINC001267865223 1180652763 /nfs/dbraw/zinc/65/27/63/1180652763.db2.gz UZTZHUBLAVUPBO-OAQYLSRUSA-N 2 0 345.531 2.396 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001267968947 1180871530 /nfs/dbraw/zinc/87/15/30/1180871530.db2.gz FFMQQNKMMINHTC-LJQANCHMSA-N 2 0 345.487 2.145 10 30 EEEERP C#CC[N@@H+](C)CCC1CCN(C(=O)Cn2ccnc2C(C)C)CC1 ZINC001268200739 1181997502 /nfs/dbraw/zinc/99/75/02/1181997502.db2.gz YDFMBNDGEVPKMU-UHFFFAOYSA-N 2 0 330.476 2.200 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001482035791 1183191277 /nfs/dbraw/zinc/19/12/77/1183191277.db2.gz OAEOYDVBXOWIHS-UHFFFAOYSA-N 2 0 327.472 2.292 10 30 EEEERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001482114143 1183344340 /nfs/dbraw/zinc/34/43/40/1183344340.db2.gz ZBKQIHRHSQILBG-RDTXWAMCSA-N 2 0 346.450 2.024 10 30 EEEERP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001269041915 1183915053 /nfs/dbraw/zinc/91/50/53/1183915053.db2.gz FDSATPBHFKMABO-HNNXBMFYSA-N 2 0 325.416 2.038 10 30 EEEERP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001269743090 1184582028 /nfs/dbraw/zinc/58/20/28/1184582028.db2.gz XLGYZUMWUISCAL-FQEVSTJZSA-N 2 0 333.520 2.446 10 30 EEEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001270025157 1184795767 /nfs/dbraw/zinc/79/57/67/1184795767.db2.gz ZALHFHLPOWQKPQ-MXVIHJGJSA-N 2 0 341.499 2.201 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](C/C=C\Cl)C1 ZINC001270965576 1185776532 /nfs/dbraw/zinc/77/65/32/1185776532.db2.gz LIMNXLVQEABBGT-RCCZTWBHSA-N 2 0 337.895 2.055 10 30 EEEERP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001271100125 1185884169 /nfs/dbraw/zinc/88/41/69/1185884169.db2.gz IKFUDLUBAXMQCP-OAHLLOKOSA-N 2 0 331.451 2.368 10 30 EEEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001485828114 1193479272 /nfs/dbraw/zinc/47/92/72/1193479272.db2.gz UMGWDPMGMFRXEG-QAPCUYQASA-N 2 0 325.472 2.212 10 30 EEEERP C#CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001670985204 1193538747 /nfs/dbraw/zinc/53/87/47/1193538747.db2.gz OYBRNFBNZQZGDA-VQIMIIECSA-N 2 0 331.504 2.053 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001483608139 1190586906 /nfs/dbraw/zinc/58/69/06/1190586906.db2.gz QPJHGUQBNPJUBO-IBGZPJMESA-N 2 0 345.462 2.002 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCCCC)CC1 ZINC001483983931 1191141747 /nfs/dbraw/zinc/14/17/47/1191141747.db2.gz FGBOVKFUMNCWGZ-IEBWSBKVSA-N 2 0 333.520 2.443 10 30 EEEERP C#CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CC(=C)C)CC1 ZINC001483989453 1191144457 /nfs/dbraw/zinc/14/44/57/1191144457.db2.gz KCWUJJSYPVLFMP-ROUUACIJSA-N 2 0 331.504 2.362 10 30 EEEERP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001484468137 1191372870 /nfs/dbraw/zinc/37/28/70/1191372870.db2.gz XXEYMSZYTWAZMZ-RTBURBONSA-N 2 0 331.504 2.341 10 30 EEEERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001484546875 1191408399 /nfs/dbraw/zinc/40/83/99/1191408399.db2.gz KUKISZBDRWEVOJ-APWZRJJASA-N 2 0 342.487 2.227 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001484927161 1191573575 /nfs/dbraw/zinc/57/35/75/1191573575.db2.gz NLCSELOOXONJMO-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485229895 1191698966 /nfs/dbraw/zinc/69/89/66/1191698966.db2.gz NMEMDEUPDAOCEN-KGLIPLIRSA-N 2 0 334.439 2.020 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]CC[C@@H](C)F)CC1 ZINC001485265456 1191711071 /nfs/dbraw/zinc/71/10/71/1191711071.db2.gz AJRIUYPTOXTYJJ-MRXNPFEDSA-N 2 0 339.499 2.154 10 30 EEEERP CCCC[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485468328 1191796183 /nfs/dbraw/zinc/79/61/83/1191796183.db2.gz KMSIAYCTIWHXGA-WOJBJXKFSA-N 2 0 341.499 2.397 10 30 EEEERP C=CCC[NH2+][C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001274229693 1204969272 /nfs/dbraw/zinc/96/92/72/1204969272.db2.gz PKAVMTXEZVDYSG-LPHOPBHVSA-N 2 0 329.488 2.417 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001275039026 1205241764 /nfs/dbraw/zinc/24/17/64/1205241764.db2.gz OWLCIZNPENNEIG-IEBWSBKVSA-N 2 0 327.472 2.007 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275157945 1205270736 /nfs/dbraw/zinc/27/07/36/1205270736.db2.gz ZHJWLVSFOXQJEW-SFHVURJKSA-N 2 0 341.499 2.397 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc2ccccc2)CC1 ZINC001275570276 1205421119 /nfs/dbraw/zinc/42/11/19/1205421119.db2.gz FAMTYTWSQFZCTD-MSOLQXFVSA-N 2 0 341.499 2.057 10 30 EEEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000929954652 1206521423 /nfs/dbraw/zinc/52/14/23/1206521423.db2.gz VFOWMDZNKMENPG-UHFFFAOYSA-N 2 0 342.487 2.065 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CCC2)CC1 ZINC001037123388 1213913204 /nfs/dbraw/zinc/91/32/04/1213913204.db2.gz UUGSIURQFHXYKA-MOPGFXCFSA-N 2 0 331.504 2.006 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001273607328 1281075699 /nfs/dbraw/zinc/07/56/99/1281075699.db2.gz LWIQGQYXEMSHMD-MOPGFXCFSA-N 2 0 333.520 2.445 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](C)Cc1ccc(C#N)s1 ZINC001490281182 1291108262 /nfs/dbraw/zinc/10/82/62/1291108262.db2.gz HBNFBDGVGIEGKC-GASCZTMLSA-N 2 0 348.516 2.431 10 30 EEEERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ccc(F)c(C#N)c1 ZINC001490361425 1291300961 /nfs/dbraw/zinc/30/09/61/1291300961.db2.gz NACQGJPEUSXINA-UHFFFAOYSA-N 2 0 346.450 2.121 10 30 EEEERP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001278177255 1306180978 /nfs/dbraw/zinc/18/09/78/1306180978.db2.gz LLVFEOXWHATZCJ-INIZCTEOSA-N 2 0 325.472 2.003 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001278200619 1306283708 /nfs/dbraw/zinc/28/37/08/1306283708.db2.gz PHWMKCFPVIDTMD-ROUUACIJSA-N 2 0 331.504 2.219 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001278516179 1317081436 /nfs/dbraw/zinc/08/14/36/1317081436.db2.gz OWXVSTVIPFWKFR-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001264126384 1322635366 /nfs/dbraw/zinc/63/53/66/1322635366.db2.gz UKCJGQHSABJLEV-ROUUACIJSA-N 2 0 339.524 2.136 10 30 EEEERP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265526362 1323204950 /nfs/dbraw/zinc/20/49/50/1323204950.db2.gz YVMCAWQTLRLRIK-RBUKOAKNSA-N 2 0 331.504 2.199 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001266063651 1323617969 /nfs/dbraw/zinc/61/79/69/1323617969.db2.gz MJCBCNVJVBROSK-MOPGFXCFSA-N 2 0 341.499 2.445 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001279262240 1323859627 /nfs/dbraw/zinc/85/96/27/1323859627.db2.gz MVOIMHDWCWYKSU-WGSAOQKQSA-N 2 0 345.531 2.398 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001279598319 1323953445 /nfs/dbraw/zinc/95/34/45/1323953445.db2.gz VTNDVYHZUVZCCK-RTBURBONSA-N 2 0 349.519 2.130 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CC=C(C)C)C2)CC1 ZINC001280308954 1324152137 /nfs/dbraw/zinc/15/21/37/1324152137.db2.gz XWLPXNIISAJBNM-SFHVURJKSA-N 2 0 331.504 2.126 10 30 EEEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001281839828 1325482784 /nfs/dbraw/zinc/48/27/84/1325482784.db2.gz DSEPAHNUDMDIET-HKUYNNGSSA-N 2 0 333.520 2.301 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccccc1Cl)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001282226721 1325656715 /nfs/dbraw/zinc/65/67/15/1325656715.db2.gz DXGDTVPYTOXCQM-CVEARBPZSA-N 2 0 347.890 2.270 10 30 EEEERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001283080458 1325912256 /nfs/dbraw/zinc/91/22/56/1325912256.db2.gz QPOYFKZQTFZUSD-WDSOQIARSA-N 2 0 345.462 2.002 10 30 EEEERP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001283706136 1326211000 /nfs/dbraw/zinc/21/10/00/1326211000.db2.gz ZXWNFYYVKGIVPQ-MRXNPFEDSA-N 2 0 349.906 2.470 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCC(C)C)C[C@@H]2C)CC1 ZINC001284033285 1326372849 /nfs/dbraw/zinc/37/28/49/1326372849.db2.gz OHXVVPNPMPLUDQ-PKOBYXMFSA-N 2 0 333.520 2.347 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001284377594 1326528189 /nfs/dbraw/zinc/52/81/89/1326528189.db2.gz YGHSOAQTZSWFAS-HUUCEWRRSA-N 2 0 347.425 2.131 10 30 EEEERP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001284725857 1326683920 /nfs/dbraw/zinc/68/39/20/1326683920.db2.gz JMDLIQUSQJHBDI-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001316717559 1331860230 /nfs/dbraw/zinc/86/02/30/1331860230.db2.gz JXILKHKPAZISPM-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCC2CCCCC2)CC1 ZINC001317471257 1332257818 /nfs/dbraw/zinc/25/78/18/1332257818.db2.gz GPVMPFXDTYHDDD-UHFFFAOYSA-N 2 0 333.520 2.350 10 30 EEEERP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C[NH+](C)C1CCC1 ZINC001317541489 1332290857 /nfs/dbraw/zinc/29/08/57/1332290857.db2.gz XDCRUJZJDLKHEX-UHFFFAOYSA-N 2 0 341.499 2.351 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCC(C)(C)C)C2CC2)CC1 ZINC001317560969 1332298338 /nfs/dbraw/zinc/29/83/38/1332298338.db2.gz DSVPYBSBMZRTAG-UHFFFAOYSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001317844886 1332429488 /nfs/dbraw/zinc/42/94/88/1332429488.db2.gz GXVBNUAJVQZJEA-INIZCTEOSA-N 2 0 339.443 2.237 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001318686301 1332577337 /nfs/dbraw/zinc/57/73/37/1332577337.db2.gz JRHSCRZPNNEYDF-TZIWHRDSSA-N 2 0 339.483 2.007 10 30 EEEERP CC#CC[N@H+](C)CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001319888941 1332793142 /nfs/dbraw/zinc/79/31/42/1332793142.db2.gz RXTIRHYPZMIWQI-UHFFFAOYSA-N 2 0 333.520 2.302 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001320414969 1332878588 /nfs/dbraw/zinc/87/85/88/1332878588.db2.gz NMSQTJYHQFQLGW-VQIMIIECSA-N 2 0 342.487 2.415 10 30 EEEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001323661035 1333511300 /nfs/dbraw/zinc/51/13/00/1333511300.db2.gz TWKSSQUSBNAPRO-AYHJJNSGSA-N 2 0 331.504 2.386 10 30 EEEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001323684709 1333516230 /nfs/dbraw/zinc/51/62/30/1333516230.db2.gz OOHYZGULAMXKHG-CEXWTWQISA-N 2 0 331.504 2.360 10 30 EEEERP CC#CC[NH+](C)CCCN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001327277255 1334257811 /nfs/dbraw/zinc/25/78/11/1334257811.db2.gz NKLSRYSEFMUHTC-IBGZPJMESA-N 2 0 329.488 2.483 10 30 EEEERP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001328805254 1334524685 /nfs/dbraw/zinc/52/46/85/1334524685.db2.gz DRGVIJZEYWKZRG-OALUTQOASA-N 2 0 333.520 2.302 10 30 EEEERP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001329740497 1334706091 /nfs/dbraw/zinc/70/60/91/1334706091.db2.gz DFVWBNXTPWDHIH-OALUTQOASA-N 2 0 333.520 2.489 10 30 EEEERP C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001331468325 1335018862 /nfs/dbraw/zinc/01/88/62/1335018862.db2.gz AXJDDLBXYNSDLO-INIZCTEOSA-N 2 0 345.462 2.098 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001566939535 1342655200 /nfs/dbraw/zinc/65/52/00/1342655200.db2.gz FIQQYONEWNJHHQ-MOPGFXCFSA-N 2 0 331.504 2.387 10 30 EEEERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001567052570 1342687254 /nfs/dbraw/zinc/68/72/54/1342687254.db2.gz GIBKGOFNAUWRGC-QFBILLFUSA-N 2 0 347.478 2.392 10 30 EEEERP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001567185218 1342707229 /nfs/dbraw/zinc/70/72/29/1342707229.db2.gz SOSWETMGNZXPCO-KRWDZBQOSA-N 2 0 335.879 2.139 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001677238601 1357299046 /nfs/dbraw/zinc/29/90/46/1357299046.db2.gz WRSJWEFEEIYWAX-MOPGFXCFSA-N 2 0 341.499 2.253 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001677238604 1357299209 /nfs/dbraw/zinc/29/92/09/1357299209.db2.gz WRSJWEFEEIYWAX-RTBURBONSA-N 2 0 341.499 2.253 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)CC[NH+]2CCCCC2)c(F)c1 ZINC001677648537 1357383346 /nfs/dbraw/zinc/38/33/46/1357383346.db2.gz TUUOUOSKJVYTSW-UHFFFAOYSA-N 2 0 331.435 2.041 10 30 EEEERP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001661079288 1354587914 /nfs/dbraw/zinc/58/79/14/1354587914.db2.gz XCTFALWCMUWLTF-MOPGFXCFSA-N 2 0 345.531 2.491 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001664599920 1355197764 /nfs/dbraw/zinc/19/77/64/1355197764.db2.gz WHEIXJWBSIHOSP-MOPGFXCFSA-N 2 0 327.472 2.331 10 30 EEEERP C#CC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC[C@H]1C ZINC001666061666 1355437005 /nfs/dbraw/zinc/43/70/05/1355437005.db2.gz JDLUNLWUFTXWQA-XLIONFOSSA-N 2 0 333.520 2.395 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC[NH+](CC2CC2)CC1 ZINC001671481467 1356347211 /nfs/dbraw/zinc/34/72/11/1356347211.db2.gz LGDDOLVZTGGHNK-ICSRJNTNSA-N 2 0 343.515 2.340 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1CC[NH+](CC#CC)CC1 ZINC001671499763 1356351528 /nfs/dbraw/zinc/35/15/28/1356351528.db2.gz IOKANFNFVFISRG-UHFFFAOYSA-N 2 0 343.515 2.056 10 30 EEEERP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001672538839 1356550797 /nfs/dbraw/zinc/55/07/97/1356550797.db2.gz VDKKAVSIVULOFP-OALUTQOASA-N 2 0 349.519 2.129 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001674481688 1356844550 /nfs/dbraw/zinc/84/45/50/1356844550.db2.gz YLYXBTQTGZPITD-QFBILLFUSA-N 2 0 337.483 2.145 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC#Cc1ccccc1 ZINC001675263229 1356954644 /nfs/dbraw/zinc/95/46/44/1356954644.db2.gz NTFVVMVXYYURLG-FQEVSTJZSA-N 2 0 341.499 2.351 10 30 EEEERP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)C[C@H]2C1 ZINC001675643602 1357027271 /nfs/dbraw/zinc/02/72/71/1357027271.db2.gz UMOLHYOAKYLTIH-FHWLQOOXSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001675677982 1357033983 /nfs/dbraw/zinc/03/39/83/1357033983.db2.gz MNPKCUQLVIEAFG-QGZVFWFLSA-N 2 0 331.504 2.361 10 30 EEEERP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001698723256 1405028164 /nfs/dbraw/zinc/02/81/64/1405028164.db2.gz PIIQEAWKDODXDP-OALUTQOASA-N 2 0 331.504 2.245 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001698919313 1405161445 /nfs/dbraw/zinc/16/14/45/1405161445.db2.gz YQOUFNXSNXUAQJ-MRXNPFEDSA-N 2 0 327.900 2.442 10 30 EEEERP C#CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001699689974 1405444619 /nfs/dbraw/zinc/44/46/19/1405444619.db2.gz YDXWHIBQRKCSRQ-KRWDZBQOSA-N 2 0 331.504 2.055 10 30 EEEERP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)CC1 ZINC001699694334 1405449110 /nfs/dbraw/zinc/44/91/10/1405449110.db2.gz HWVBILQJKZQDGH-QGZVFWFLSA-N 2 0 337.483 2.004 10 30 EEEERP N#CC1(c2ccccc2)CCC([NH2+]CCN2CCC([NH3+])CC2)CC1 ZINC000925810826 777517336 /nfs/dbraw/zinc/51/73/36/777517336.db2.gz BRCIHWZZYYSKIG-UHFFFAOYSA-N 2 0 326.488 2.403 10 30 EEEERP C[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261663734 779794562 /nfs/dbraw/zinc/79/45/62/779794562.db2.gz BEAUHQYTDAFAIO-OKZBNKHCSA-N 2 0 346.523 2.216 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000907699297 784809242 /nfs/dbraw/zinc/80/92/42/784809242.db2.gz OLEHBJNWGJRAMR-UHFFFAOYSA-N 2 0 333.476 2.093 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000908217097 785242751 /nfs/dbraw/zinc/24/27/51/785242751.db2.gz JYJVYHQQMVLHHM-UHFFFAOYSA-N 2 0 346.475 2.413 10 30 EEEERP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923389468 789485621 /nfs/dbraw/zinc/48/56/21/789485621.db2.gz REKXMEUZYIBLFH-MOPGFXCFSA-N 2 0 343.471 2.010 10 30 EEEERP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001566126727 1125574657 /nfs/dbraw/zinc/57/46/57/1125574657.db2.gz AYTPBGWHNUFHIZ-CQSZACIVSA-N 2 0 336.505 2.034 10 30 EEEERP C[NH+](C)CCCC(=O)NCCC[N@H+](C)CC#Cc1ccccc1Cl ZINC001566486714 1125648192 /nfs/dbraw/zinc/64/81/92/1125648192.db2.gz JVBXLBZCJMGTCP-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C[N@@H+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001566516266 1125687269 /nfs/dbraw/zinc/68/72/69/1125687269.db2.gz FJGFBWZTPZTRCO-KRWDZBQOSA-N 2 0 347.890 2.081 10 30 EEEERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001437163907 1089178863 /nfs/dbraw/zinc/17/88/63/1089178863.db2.gz KUGVPWHKTVBERW-WMLDXEAASA-N 2 0 346.450 2.166 10 30 EEEERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001437214488 1089294502 /nfs/dbraw/zinc/29/45/02/1089294502.db2.gz LMWCPMYKFUEAML-RHSMWYFYSA-N 2 0 348.516 2.477 10 30 EEEERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(C#N)c1 ZINC001438510788 1091003514 /nfs/dbraw/zinc/00/35/14/1091003514.db2.gz AQVNBTKHANTUDE-GJYPPUQNSA-N 2 0 342.487 2.130 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438677292 1091171207 /nfs/dbraw/zinc/17/12/07/1091171207.db2.gz NRXAKLYETJLUST-CQSZACIVSA-N 2 0 348.516 2.431 10 30 EEEERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001448561946 1093609981 /nfs/dbraw/zinc/60/99/81/1093609981.db2.gz PTUNFLKTRGBGJA-RTBURBONSA-N 2 0 342.487 2.130 10 30 EEEERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001448688796 1093751825 /nfs/dbraw/zinc/75/18/25/1093751825.db2.gz ZYDDXMQPCZDISM-CJNGLKHVSA-N 2 0 334.489 2.041 10 30 EEEERP C[C@H](CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001441657041 1095621766 /nfs/dbraw/zinc/62/17/66/1095621766.db2.gz HZYXWFZNMGAOJP-MRXNPFEDSA-N 2 0 330.476 2.036 10 30 EEEERP C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2C#N)CCN1C(=O)CCC[NH+](C)C ZINC001441826896 1095874091 /nfs/dbraw/zinc/87/40/91/1095874091.db2.gz QTHCIPRJHMHAQV-KDOFPFPSSA-N 2 0 346.450 2.118 10 30 EEEERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001441858978 1095958234 /nfs/dbraw/zinc/95/82/34/1095958234.db2.gz JSWODMZVJCHGLY-WMLDXEAASA-N 2 0 346.450 2.166 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC#Cc1ccccc1 ZINC001479815703 1099084207 /nfs/dbraw/zinc/08/42/07/1099084207.db2.gz LJQODVNKMKYERA-HXUWFJFHSA-N 2 0 341.499 2.351 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC#Cc1ccccc1 ZINC001479815702 1099085895 /nfs/dbraw/zinc/08/58/95/1099085895.db2.gz LJQODVNKMKYERA-FQEVSTJZSA-N 2 0 341.499 2.351 10 30 EEEERP C=CCOCC[NH2+]CC[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001495358458 1101072028 /nfs/dbraw/zinc/07/20/28/1101072028.db2.gz FIFNKZURJCDKSI-SFHVURJKSA-N 2 0 349.519 2.036 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cccc(CC)c1 ZINC001496718411 1101332545 /nfs/dbraw/zinc/33/25/45/1101332545.db2.gz OKLNJZIFNWSFRV-FQEVSTJZSA-N 2 0 341.499 2.237 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001497766086 1103065688 /nfs/dbraw/zinc/06/56/88/1103065688.db2.gz UCXIJAPODMWZPF-LXORQPIJSA-N 2 0 339.483 2.173 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)Cc2ccc(C)cc2)CC1 ZINC001498455735 1107562820 /nfs/dbraw/zinc/56/28/20/1107562820.db2.gz JRVKEOKUFNDFKA-GOSISDBHSA-N 2 0 341.499 2.277 10 30 EEEERP CC[C@H](C(=O)NC1(C)CC[NH+](CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001499989445 1112567663 /nfs/dbraw/zinc/56/76/63/1112567663.db2.gz GFLJSYJKMCYTID-LJQANCHMSA-N 2 0 341.499 2.349 10 30 EEEERP C#CCN(C(=O)CCc1cncn1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001500057995 1112596433 /nfs/dbraw/zinc/59/64/33/1112596433.db2.gz RZPIRJFBUOWDOD-KRWDZBQOSA-N 2 0 344.503 2.325 10 30 EEEERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001508136556 1115425478 /nfs/dbraw/zinc/42/54/78/1115425478.db2.gz YHCRTHLOIHWPMN-UHFFFAOYSA-N 2 0 347.890 2.222 10 30 EEEERP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001568516354 1124581357 /nfs/dbraw/zinc/58/13/57/1124581357.db2.gz WHOXTYWYMMHZOI-OALUTQOASA-N 2 0 331.504 2.199 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001568858432 1124881810 /nfs/dbraw/zinc/88/18/10/1124881810.db2.gz NEEGIFCKXYXGNG-HCZHMGAMSA-N 2 0 339.483 2.175 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001569152542 1125131737 /nfs/dbraw/zinc/13/17/37/1125131737.db2.gz CTMINIAMJYNZDD-QGZVFWFLSA-N 2 0 345.531 2.348 10 30 EEEERP CN(CCC[NH2+]Cc1ccc(C#N)s1)C(=O)C12CCC[NH+]1CCC2 ZINC001569218356 1125173460 /nfs/dbraw/zinc/17/34/60/1125173460.db2.gz SEBZHGBDHXXAEM-UHFFFAOYSA-N 2 0 346.500 2.186 10 30 EEEERP C[NH+](C)Cc1cc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)ccc1F ZINC000566245087 319264339 /nfs/dbraw/zinc/26/43/39/319264339.db2.gz CQYGUELWHBCALH-UHFFFAOYSA-N 2 0 338.390 2.091 10 30 EEEERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCOc2cccc(C#N)c2)CC1 ZINC000156185397 462991015 /nfs/dbraw/zinc/99/10/15/462991015.db2.gz NYQDKXZPZFQPEZ-KRWDZBQOSA-N 2 0 345.487 2.352 10 30 EEEERP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516114 464063273 /nfs/dbraw/zinc/06/32/73/464063273.db2.gz FBDNKNLOADHJAF-QGZVFWFLSA-N 2 0 328.460 2.324 10 30 EEEERP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366535897 465786523 /nfs/dbraw/zinc/78/65/23/465786523.db2.gz PSAPWWOTWNRTAT-HECZYDGTSA-N 2 0 346.519 2.333 10 30 EEEERP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594438510 468587155 /nfs/dbraw/zinc/58/71/55/468587155.db2.gz JHQQLCLJQPYFNF-HZPDHXFCSA-N 2 0 336.867 2.470 10 30 EEEERP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715776 468631246 /nfs/dbraw/zinc/63/12/46/468631246.db2.gz ILHCJBGXIWKZPK-KZNAEPCWSA-N 2 0 337.508 2.015 10 30 EEEERP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600717278 468631815 /nfs/dbraw/zinc/63/18/15/468631815.db2.gz PXHOKWROVUDKLU-ZWKOTPCHSA-N 2 0 337.508 2.159 10 30 EEEERP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCN2C2CCCCC2)CCOCC1 ZINC000600751664 468648147 /nfs/dbraw/zinc/64/81/47/468648147.db2.gz SAJSAXJIUKMMRJ-QZTJIDSGSA-N 2 0 335.492 2.054 10 30 EEEERP C=CC[C@@]1(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CCC[NH2+]1 ZINC000662663130 472194186 /nfs/dbraw/zinc/19/41/86/472194186.db2.gz LQULSDPADZETFS-HKUYNNGSSA-N 2 0 331.460 2.112 10 30 EEEERP C#CCC[NH+]1CCC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000740738393 578106490 /nfs/dbraw/zinc/10/64/90/578106490.db2.gz CIMVYINMMNXPPE-UHFFFAOYSA-N 2 0 339.483 2.500 10 30 EEEERP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CCO1 ZINC001485639002 1191865918 /nfs/dbraw/zinc/86/59/18/1191865918.db2.gz ANZRRWLRLPDRON-WBVHZDCISA-N 2 0 337.508 2.031 10 30 EEEERP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485715388 1191906337 /nfs/dbraw/zinc/90/63/37/1191906337.db2.gz YKSNDLITNWAQFW-QAPCUYQASA-N 2 0 328.460 2.027 10 30 EEEERP C[NH+](C)C1(C(=O)NC[C@H]([NH2+]CC#Cc2ccccc2)C2CC2)CCC1 ZINC001266412029 1176501373 /nfs/dbraw/zinc/50/13/73/1176501373.db2.gz KWFFRQMIEFMWPE-IBGZPJMESA-N 2 0 339.483 2.007 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCC(C)C)C1 ZINC001267104287 1178252130 /nfs/dbraw/zinc/25/21/30/1178252130.db2.gz PHKMHSRDOOMDJW-OALUTQOASA-N 2 0 333.520 2.443 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCCc2ccsc2)CC1 ZINC001267232619 1178558175 /nfs/dbraw/zinc/55/81/75/1178558175.db2.gz KTYGWJXFTXHLAV-UHFFFAOYSA-N 2 0 347.528 2.074 10 30 EEEERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001267416084 1178988742 /nfs/dbraw/zinc/98/87/42/1178988742.db2.gz CCHYMZXKDKBVRB-LJQANCHMSA-N 2 0 342.487 2.228 10 30 EEEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001267491545 1179165178 /nfs/dbraw/zinc/16/51/78/1179165178.db2.gz JLDJCDBJJINCIO-HNAYVOBHSA-N 2 0 337.483 2.049 10 30 EEEERP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267565145 1179371795 /nfs/dbraw/zinc/37/17/95/1179371795.db2.gz JOJFFSXVUJTGHN-MAUKXSAKSA-N 2 0 325.472 2.213 10 30 EEEERP CC[C@H](C(=O)NCCN(CC)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001480983088 1179422951 /nfs/dbraw/zinc/42/29/51/1179422951.db2.gz PFVOVJNZVNFLNU-GOSISDBHSA-N 2 0 349.906 2.470 10 30 EEEERP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001267858373 1180642580 /nfs/dbraw/zinc/64/25/80/1180642580.db2.gz QZTLBIYJPUAZHX-RTBURBONSA-N 2 0 337.483 2.097 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CCC=C)CC1 ZINC001268164527 1181886114 /nfs/dbraw/zinc/88/61/14/1181886114.db2.gz AISYWXMHDIOJFF-LJQANCHMSA-N 2 0 331.504 2.269 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001268181308 1181965326 /nfs/dbraw/zinc/96/53/26/1181965326.db2.gz WLMJJIXZFOUGJM-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP CC(C)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC001268224667 1182036324 /nfs/dbraw/zinc/03/63/24/1182036324.db2.gz VJMYYFCGZBYVRE-UXHICEINSA-N 2 0 343.515 2.355 10 30 EEEERP CN(CC#Cc1ccc(Cl)cc1)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268257416 1182091146 /nfs/dbraw/zinc/09/11/46/1182091146.db2.gz SCGYTOKZJWQBSV-QGZVFWFLSA-N 2 0 347.890 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001268427672 1182600021 /nfs/dbraw/zinc/60/00/21/1182600021.db2.gz YPIRYMXUXLCNME-KRWDZBQOSA-N 2 0 345.531 2.396 10 30 EEEERP C#CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)Cc1ccccc1)CC2 ZINC001482070566 1183296319 /nfs/dbraw/zinc/29/63/19/1183296319.db2.gz IBFYVSHCMMVFAH-UHFFFAOYSA-N 2 0 339.483 2.066 10 30 EEEERP CC[C@@H](C(=O)NC/C=C/C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001268619889 1183537954 /nfs/dbraw/zinc/53/79/54/1183537954.db2.gz UYWINRFTKPRFFD-QWNKOJSDSA-N 2 0 347.890 2.294 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(N(CC#N)CC2CC2)CC1 ZINC001269633590 1184458896 /nfs/dbraw/zinc/45/88/96/1184458896.db2.gz ZQWWSUFJGJJXMX-HZPDHXFCSA-N 2 0 332.492 2.086 10 30 EEEERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(N(CC#N)CC2CC2)CC1 ZINC001269633583 1184458930 /nfs/dbraw/zinc/45/89/30/1184458930.db2.gz ZQWWSUFJGJJXMX-HOTGVXAUSA-N 2 0 332.492 2.086 10 30 EEEERP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001691508404 1185365402 /nfs/dbraw/zinc/36/54/02/1185365402.db2.gz NCWIXRSISFVISF-RTBURBONSA-N 2 0 340.471 2.123 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001271598833 1186330449 /nfs/dbraw/zinc/33/04/49/1186330449.db2.gz DQZVKFBZZJQJHQ-HXUWFJFHSA-N 2 0 345.531 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCC3CCCC3)CC2)CC1 ZINC001670903514 1193494211 /nfs/dbraw/zinc/49/42/11/1193494211.db2.gz MLKMBPNNKFSOKF-UHFFFAOYSA-N 2 0 331.504 2.150 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cc(C)ccc2F)CC1 ZINC001483198581 1189094596 /nfs/dbraw/zinc/09/45/96/1189094596.db2.gz VFKZQGKWEMORHB-MRXNPFEDSA-N 2 0 345.462 2.074 10 30 EEEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272669972 1191007433 /nfs/dbraw/zinc/00/74/33/1191007433.db2.gz LBSNZSNHIHFLBT-LJQANCHMSA-N 2 0 327.472 2.262 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483930158 1191121945 /nfs/dbraw/zinc/12/19/45/1191121945.db2.gz ZDOWCPBWHDUCDX-MJGOQNOKSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC/C=C\CC)CC1 ZINC001483988530 1191144056 /nfs/dbraw/zinc/14/40/56/1191144056.db2.gz DRXDDJQXLNOPED-WAYWQWQTSA-N 2 0 343.515 2.365 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001484519819 1191394050 /nfs/dbraw/zinc/39/40/50/1191394050.db2.gz BFZPBIRVWOKMQW-HOTGVXAUSA-N 2 0 327.900 2.440 10 30 EEEERP CC#CC[N@@H+]1CCc2c(CNC(=O)[C@H](C(C)C)[NH+](C)C)cccc2C1 ZINC001484612046 1191437408 /nfs/dbraw/zinc/43/74/08/1191437408.db2.gz DNDGTFDOTPEROH-FQEVSTJZSA-N 2 0 341.499 2.270 10 30 EEEERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001485159458 1191674017 /nfs/dbraw/zinc/67/40/17/1191674017.db2.gz XLKYOWQUTDIOJM-HZPDHXFCSA-N 2 0 345.462 2.144 10 30 EEEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485251775 1191704172 /nfs/dbraw/zinc/70/41/72/1191704172.db2.gz MTEFSJWAHVWQFJ-OAHLLOKOSA-N 2 0 327.900 2.155 10 30 EEEERP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001485439428 1191785529 /nfs/dbraw/zinc/78/55/29/1191785529.db2.gz GTVSNLABDDSNDL-OAHLLOKOSA-N 2 0 327.900 2.297 10 30 EEEERP C=C(C)C[NH2+][C@@H](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1 ZINC001486188909 1193730710 /nfs/dbraw/zinc/73/07/10/1193730710.db2.gz LTGBCMLQPBDRJV-IBGZPJMESA-N 2 0 341.499 2.366 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)(C)C ZINC001486412400 1193921668 /nfs/dbraw/zinc/92/16/68/1193921668.db2.gz WFLHMIIRGXYHHT-HNAYVOBHSA-N 2 0 339.499 2.343 10 30 EEEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001486453230 1193975122 /nfs/dbraw/zinc/97/51/22/1193975122.db2.gz XEZWBNCYAMATOV-HUUCEWRRSA-N 2 0 347.425 2.417 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001273105764 1194389618 /nfs/dbraw/zinc/38/96/18/1194389618.db2.gz XZEICLUNHMMCPB-MRXNPFEDSA-N 2 0 333.451 2.003 10 30 EEEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001691680936 1197485692 /nfs/dbraw/zinc/48/56/92/1197485692.db2.gz MWNBWVCTHNAIFK-OTWHNJEPSA-N 2 0 333.520 2.395 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000876741265 1199750744 /nfs/dbraw/zinc/75/07/44/1199750744.db2.gz PIWIFTDXGQMMQD-HZPDHXFCSA-N 2 0 327.900 2.427 10 30 EEEERP C(#CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)C[NH+]1CC[C@H]2CSC[C@H]2C1 ZINC000879565848 1201145234 /nfs/dbraw/zinc/14/52/34/1201145234.db2.gz QWIDZIWXPZWQPP-FZDBZEDMSA-N 2 0 336.570 2.360 10 30 EEEERP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001274368387 1205011855 /nfs/dbraw/zinc/01/18/55/1205011855.db2.gz MYHOLPSVXUMZJP-SFHVURJKSA-N 2 0 331.504 2.387 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000931018862 1206600529 /nfs/dbraw/zinc/60/05/29/1206600529.db2.gz LMHWNXBEMAXFNH-UHFFFAOYSA-N 2 0 328.460 2.010 10 30 EEEERP Cc1c(C[C@H](C[NH3+])C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)cnn1C ZINC000903987437 1242884806 /nfs/dbraw/zinc/88/48/06/1242884806.db2.gz GHELWNOABLJOBS-GOSISDBHSA-N 2 0 339.487 2.329 10 30 EEEERP N#Cc1ccc(N[C@@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nc1 ZINC000903987795 1242886743 /nfs/dbraw/zinc/88/67/43/1242886743.db2.gz JRWTXGHRHSMUQA-HQSKLWIPSA-N 2 0 325.460 2.360 10 30 EEEERP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001273824894 1286478095 /nfs/dbraw/zinc/47/80/95/1286478095.db2.gz LJJZVYLKYKDSED-LJQANCHMSA-N 2 0 329.488 2.447 10 30 EEEERP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001490594685 1291496178 /nfs/dbraw/zinc/49/61/78/1291496178.db2.gz HUBJBNVCDCAEFT-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP CN1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000852886942 1292225439 /nfs/dbraw/zinc/22/54/39/1292225439.db2.gz ZZUMEGVNWIQBKE-PKOBYXMFSA-N 2 0 345.874 2.204 10 30 EEEERP C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001276799115 1297875234 /nfs/dbraw/zinc/87/52/34/1297875234.db2.gz HMWJDZGVWOFOHK-IAGOWNOFSA-N 2 0 339.524 2.136 10 30 EEEERP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001277537440 1303851876 /nfs/dbraw/zinc/85/18/76/1303851876.db2.gz DJBKWGBMMKRGET-CTNGQTDRSA-N 2 0 339.483 2.237 10 30 EEEERP C#CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](CC(=C)C)CC1 ZINC001278184196 1306209637 /nfs/dbraw/zinc/20/96/37/1306209637.db2.gz IWSHHGRJBZYWJI-UHFFFAOYSA-N 2 0 333.520 2.467 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCC1 ZINC001278289033 1309042268 /nfs/dbraw/zinc/04/22/68/1309042268.db2.gz NBABGZNVWWVKQG-OALUTQOASA-N 2 0 333.520 2.395 10 30 EEEERP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1(C)C ZINC001278656211 1317569719 /nfs/dbraw/zinc/56/97/19/1317569719.db2.gz IZCBANAFQBLVGQ-SFHVURJKSA-N 2 0 333.520 2.491 10 30 EEEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001264120879 1322633302 /nfs/dbraw/zinc/63/33/02/1322633302.db2.gz SOTOPVWPGDEABI-RTBURBONSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCCC(C)C)CC1 ZINC001264381212 1322684922 /nfs/dbraw/zinc/68/49/22/1322684922.db2.gz ZDXVEOVEXINCBI-LJQANCHMSA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265526363 1323205317 /nfs/dbraw/zinc/20/53/17/1323205317.db2.gz YVMCAWQTLRLRIK-RTBURBONSA-N 2 0 331.504 2.199 10 30 EEEERP C#CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001266138291 1323708029 /nfs/dbraw/zinc/70/80/29/1323708029.db2.gz BLESXTHHQSJAKW-QGZVFWFLSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001266138290 1323708483 /nfs/dbraw/zinc/70/84/83/1323708483.db2.gz BLESXTHHQSJAKW-KRWDZBQOSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001282567152 1325742122 /nfs/dbraw/zinc/74/21/22/1325742122.db2.gz GYBNHISTUUTLOE-LPHOPBHVSA-N 2 0 339.499 2.295 10 30 EEEERP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001284711819 1326678216 /nfs/dbraw/zinc/67/82/16/1326678216.db2.gz CDEIWFLWPKJWAF-DOTOQJQBSA-N 2 0 327.488 2.459 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CCC(C)C)CC1 ZINC001317200136 1332127882 /nfs/dbraw/zinc/12/78/82/1332127882.db2.gz OOFPYZKRWXCXMN-LJQANCHMSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@@H+](C[C@H](C)CC)C2)CC1 ZINC001317811907 1332417340 /nfs/dbraw/zinc/41/73/40/1332417340.db2.gz SEGGNMRYPZYOSW-MSOLQXFVSA-N 2 0 333.520 2.206 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001318300967 1332505560 /nfs/dbraw/zinc/50/55/60/1332505560.db2.gz IIWSABICPLADLH-RURPWVQCSA-N 2 0 331.504 2.269 10 30 EEEERP CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001318727324 1332583987 /nfs/dbraw/zinc/58/39/87/1332583987.db2.gz DMUHDQDVNQJKHS-CTNGQTDRSA-N 2 0 341.499 2.253 10 30 EEEERP C#CCC[NH2+]C[C@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@H]1C ZINC001318758089 1332589561 /nfs/dbraw/zinc/58/95/61/1332589561.db2.gz KTEZYKXFKOUYEI-UYAOXDASSA-N 2 0 333.520 2.396 10 30 EEEERP C[NH+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccc(F)cc2)CCCC1 ZINC001319374731 1332692147 /nfs/dbraw/zinc/69/21/47/1332692147.db2.gz MEVLSLRHBKWGMG-UHFFFAOYSA-N 2 0 345.462 2.148 10 30 EEEERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001319859842 1332785985 /nfs/dbraw/zinc/78/59/85/1332785985.db2.gz CBQNASRFIKSKNB-ICSRJNTNSA-N 2 0 341.499 2.207 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(F)c(C#N)c1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320902816 1332975676 /nfs/dbraw/zinc/97/56/76/1332975676.db2.gz ZHQYXGCLCSMIJI-SFHVURJKSA-N 2 0 348.466 2.222 10 30 EEEERP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001324432547 1333681996 /nfs/dbraw/zinc/68/19/96/1333681996.db2.gz XZKMRQLDPLUWHY-YCOJEUHLSA-N 2 0 337.895 2.007 10 30 EEEERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001326411024 1334087473 /nfs/dbraw/zinc/08/74/73/1334087473.db2.gz GLLYUHOSSHKXLI-YOEHRIQHSA-N 2 0 348.516 2.288 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001328734011 1334510384 /nfs/dbraw/zinc/51/03/84/1334510384.db2.gz URGLDPPYDLJOMS-RBUKOAKNSA-N 2 0 331.504 2.340 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]C/C=C/Cl)C(C)C ZINC001329741652 1334705895 /nfs/dbraw/zinc/70/58/95/1334705895.db2.gz JDOHTUDWUNQTLZ-RRUDCUFVSA-N 2 0 339.911 2.299 10 30 EEEERP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CCCC[NH+](C)C ZINC001332044907 1335712713 /nfs/dbraw/zinc/71/27/13/1335712713.db2.gz CUJSLJZIPMHCHL-GJZGRUSLSA-N 2 0 348.516 2.431 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC(CC)CC)C[C@@H]2C)CC1 ZINC001332063883 1335717326 /nfs/dbraw/zinc/71/73/26/1335717326.db2.gz KECGSLCOSANQFH-QFBILLFUSA-N 2 0 333.520 2.347 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001566896948 1342648351 /nfs/dbraw/zinc/64/83/51/1342648351.db2.gz NSUDFASOCITJQH-QGZVFWFLSA-N 2 0 333.520 2.491 10 30 EEEERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001567139339 1342700713 /nfs/dbraw/zinc/70/07/13/1342700713.db2.gz ZLFKMMSIKZZSQC-KRWDZBQOSA-N 2 0 347.890 2.081 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001567611949 1342794141 /nfs/dbraw/zinc/79/41/41/1342794141.db2.gz ZSWWQUXLSJHYPU-HXUWFJFHSA-N 2 0 339.483 2.067 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC[NH+](CCCF)CC1 ZINC001569588298 1342904414 /nfs/dbraw/zinc/90/44/14/1342904414.db2.gz CRTDDLWPBUFTLG-HKUYNNGSSA-N 2 0 349.494 2.289 10 30 EEEERP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001569859622 1342959938 /nfs/dbraw/zinc/95/99/38/1342959938.db2.gz BUJGWYMQVDBHCE-BCDXTJNWSA-N 2 0 331.504 2.243 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001569988977 1342989763 /nfs/dbraw/zinc/98/97/63/1342989763.db2.gz WQMWJISUORHFBU-HNNXBMFYSA-N 2 0 325.884 2.196 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)CC1 ZINC001606970352 1351387601 /nfs/dbraw/zinc/38/76/01/1351387601.db2.gz JYQQNGXYXCTSLN-MOPGFXCFSA-N 2 0 331.504 2.053 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001639561171 1352699127 /nfs/dbraw/zinc/69/91/27/1352699127.db2.gz GFPFTPNAIVVDLS-MOPGFXCFSA-N 2 0 327.472 2.227 10 30 EEEERP C#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001665921984 1355410446 /nfs/dbraw/zinc/41/04/46/1355410446.db2.gz ZLBRZFFCHKSPDD-QGZVFWFLSA-N 2 0 331.504 2.293 10 30 EEEERP C#CCC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](CC#C)CC2)CCCC[C@H]1C ZINC001666069748 1355440004 /nfs/dbraw/zinc/44/00/04/1355440004.db2.gz WHNUUXFOHJHLLG-NQIIRXRSSA-N 2 0 343.515 2.010 10 30 EEEERP C=C(Br)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001672896018 1356608827 /nfs/dbraw/zinc/60/88/27/1356608827.db2.gz AFWYQRZEJKPFNO-KBPBESRZSA-N 2 0 346.313 2.063 10 30 EEEERP C#CCC[N@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](C)C)cccc2C1 ZINC001673079540 1356644496 /nfs/dbraw/zinc/64/44/96/1356644496.db2.gz FGYMHSNUBFOKQG-IBGZPJMESA-N 2 0 327.472 2.024 10 30 EEEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001673617371 1356717927 /nfs/dbraw/zinc/71/79/27/1356717927.db2.gz DSQQAMJTBDXJBX-QZTJIDSGSA-N 2 0 331.504 2.387 10 30 EEEERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001673917091 1356759903 /nfs/dbraw/zinc/75/99/03/1356759903.db2.gz JMCMSFYQVCGYJN-LPHOPBHVSA-N 2 0 342.487 2.227 10 30 EEEERP CN(CC(C)(C)C[NH2+]CC#Cc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001674872895 1356905174 /nfs/dbraw/zinc/90/51/74/1356905174.db2.gz SUXSBBVOZIOYFK-UHFFFAOYSA-N 2 0 341.499 2.208 10 30 EEEERP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001675252789 1356951657 /nfs/dbraw/zinc/95/16/57/1356951657.db2.gz DXWHMQQJURMGAN-DLBZAZTESA-N 2 0 325.472 2.050 10 30 EEEERP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699105386 1405259398 /nfs/dbraw/zinc/25/93/98/1405259398.db2.gz GHHKNRSNVKOSMG-OAHLLOKOSA-N 2 0 328.460 2.027 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001699106927 1405262245 /nfs/dbraw/zinc/26/22/45/1405262245.db2.gz HQZVHBAXTRWORI-APWZRJJASA-N 2 0 342.487 2.417 10 30 EEEERP C#CCN(C(=O)CCC[NH+]1CCCCC1)C1CC[NH+](CC=C)CC1 ZINC001699787462 1405484928 /nfs/dbraw/zinc/48/49/28/1405484928.db2.gz YEDZDHXGWHZSOQ-UHFFFAOYSA-N 2 0 331.504 2.365 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001699982384 1405623805 /nfs/dbraw/zinc/62/38/05/1405623805.db2.gz VRTKBUHIOCVLQU-GUDVDZBRSA-N 2 0 333.520 2.396 10 30 EEEERP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001565987461 1125484047 /nfs/dbraw/zinc/48/40/47/1125484047.db2.gz PJMNLIQAEBGGGC-SBHAEUEKSA-N 2 0 345.531 2.493 10 30 EEEERP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1CC)[NH+](C)C ZINC001436436797 1087821348 /nfs/dbraw/zinc/82/13/48/1087821348.db2.gz DQXBLLOHMMCQQI-IPMKNSEASA-N 2 0 342.487 2.368 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001441831433 1095888284 /nfs/dbraw/zinc/88/82/84/1095888284.db2.gz HNNIXAKLKWRJES-RHSMWYFYSA-N 2 0 346.450 2.117 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001441862114 1095966263 /nfs/dbraw/zinc/96/62/63/1095966263.db2.gz FJHDGRIXINTBFC-HRCADAONSA-N 2 0 339.911 2.297 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001479496132 1098565546 /nfs/dbraw/zinc/56/55/46/1098565546.db2.gz YJZBNMBJGLURMD-LSDHHAIUSA-N 2 0 348.516 2.334 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC001495232905 1100922210 /nfs/dbraw/zinc/92/22/10/1100922210.db2.gz KBSXIOXUMBJWJK-ICSRJNTNSA-N 2 0 340.471 2.027 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001495509416 1101222453 /nfs/dbraw/zinc/22/24/53/1101222453.db2.gz PLXXMBSIZFWYKS-IBGZPJMESA-N 2 0 327.472 2.290 10 30 EEEERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001496645505 1101250038 /nfs/dbraw/zinc/25/00/38/1101250038.db2.gz VPAYYLZPQSEDAN-SFHVURJKSA-N 2 0 346.450 2.024 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001495589295 1101293881 /nfs/dbraw/zinc/29/38/81/1101293881.db2.gz UDMRWZSNTQXZQH-LJQANCHMSA-N 2 0 345.462 2.100 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)CC[NH+](C)C ZINC001497262261 1102215958 /nfs/dbraw/zinc/21/59/58/1102215958.db2.gz IIWJBDTZNLPPNC-HNNXBMFYSA-N 2 0 335.879 2.128 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497442986 1102496784 /nfs/dbraw/zinc/49/67/84/1102496784.db2.gz KHJAJXXYHQJOGA-LPHOPBHVSA-N 2 0 342.487 2.227 10 30 EEEERP CCN(CC#Cc1ccccc1)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001493061889 1107420834 /nfs/dbraw/zinc/42/08/34/1107420834.db2.gz GAQOXTYIFQPMHO-KDURUIRLSA-N 2 0 341.499 2.349 10 30 EEEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001493831346 1108713187 /nfs/dbraw/zinc/71/31/87/1108713187.db2.gz NKQWZJFUIPJQHL-HNNXBMFYSA-N 2 0 338.455 2.496 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001493846971 1108729764 /nfs/dbraw/zinc/72/97/64/1108729764.db2.gz MLVZTYLEGNKKAM-GJZGRUSLSA-N 2 0 327.900 2.297 10 30 EEEERP C#CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001499480254 1112310626 /nfs/dbraw/zinc/31/06/26/1112310626.db2.gz FRSKCWFOKMMHCS-MSOLQXFVSA-N 2 0 333.520 2.301 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001499909492 1112537133 /nfs/dbraw/zinc/53/71/33/1112537133.db2.gz OQBMCGWEGXSXHO-INIZCTEOSA-N 2 0 325.416 2.038 10 30 EEEERP C#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1CC ZINC001501022314 1113171182 /nfs/dbraw/zinc/17/11/82/1113171182.db2.gz OBLAIVODZVLDGM-RTBURBONSA-N 2 0 329.488 2.215 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001501181238 1113231108 /nfs/dbraw/zinc/23/11/08/1113231108.db2.gz FYOZLVBPJWTDGA-FHWLQOOXSA-N 2 0 333.520 2.396 10 30 EEEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001501197212 1113237784 /nfs/dbraw/zinc/23/77/84/1113237784.db2.gz DYOZNTDJBJZOOU-UHFFFAOYSA-N 2 0 327.472 2.112 10 30 EEEERP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC001501663334 1113421971 /nfs/dbraw/zinc/42/19/71/1113421971.db2.gz SGBBXUZZUFIGLW-UHFFFAOYSA-N 2 0 327.472 2.242 10 30 EEEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001501671276 1113426618 /nfs/dbraw/zinc/42/66/18/1113426618.db2.gz WKTGHZVAJJPWCV-IRXDYDNUSA-N 2 0 327.472 2.241 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001501710109 1113444941 /nfs/dbraw/zinc/44/49/41/1113444941.db2.gz FRTPWKFMFKQBIV-SHTZXODSSA-N 2 0 348.516 2.336 10 30 EEEERP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@H+]1C)CCO2 ZINC001503701411 1113901609 /nfs/dbraw/zinc/90/16/09/1113901609.db2.gz YPKFVKDWNMKIAG-GOSISDBHSA-N 2 0 349.519 2.130 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507407872 1115254863 /nfs/dbraw/zinc/25/48/63/1115254863.db2.gz DGFRYLQMQJDCDJ-ZWKOTPCHSA-N 2 0 333.520 2.396 10 30 EEEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(F)c1 ZINC001508236801 1115457129 /nfs/dbraw/zinc/45/71/29/1115457129.db2.gz WGPZOBZYDSASTE-RHSMWYFYSA-N 2 0 333.451 2.448 10 30 EEEERP C[NH+](C)CCC(=O)NC1(C[NH2+]CC#Cc2ccccc2)CCCC1 ZINC001568004826 1124226071 /nfs/dbraw/zinc/22/60/71/1124226071.db2.gz NKQNGNHSCAVSFD-UHFFFAOYSA-N 2 0 327.472 2.008 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568279101 1124401401 /nfs/dbraw/zinc/40/14/01/1124401401.db2.gz IWGIIWASYBKMDE-ICSRJNTNSA-N 2 0 341.499 2.349 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001568392912 1124462519 /nfs/dbraw/zinc/46/25/19/1124462519.db2.gz ZFYNLMAMZSWBPE-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001568431306 1124499537 /nfs/dbraw/zinc/49/95/37/1124499537.db2.gz HITXYXYPNXHIKR-HKUYNNGSSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCC=C)CC1 ZINC001569176204 1125146850 /nfs/dbraw/zinc/14/68/50/1125146850.db2.gz ZHVDEVWQNALRJL-RTBURBONSA-N 2 0 331.504 2.172 10 30 EEEERP C[NH+]=C(NCC[NH+]1CCCCC1)NCc1nccc2ccccc21 ZINC000076016585 462785603 /nfs/dbraw/zinc/78/56/03/462785603.db2.gz FVIAGGACPWYJDP-UHFFFAOYSA-N 2 0 325.460 2.386 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000171901360 463945367 /nfs/dbraw/zinc/94/53/67/463945367.db2.gz SWIVOBUZYNCXGX-QZTJIDSGSA-N 2 0 334.508 2.175 10 30 EEEERP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1F ZINC000423372962 466731466 /nfs/dbraw/zinc/73/14/66/466731466.db2.gz BRDGOTOTSDNOOG-XHDPSFHLSA-N 2 0 344.356 2.184 10 30 EEEERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCn2cnc(C#N)n2)CC1 ZINC000449323835 467630854 /nfs/dbraw/zinc/63/08/54/467630854.db2.gz XITZTGAWTLAWOP-UHFFFAOYSA-N 2 0 332.496 2.419 10 30 EEEERP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600718508 468632560 /nfs/dbraw/zinc/63/25/60/468632560.db2.gz XWUDDPLXQBWART-ROUUACIJSA-N 2 0 337.508 2.302 10 30 EEEERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(C#N)CCCC1 ZINC000593427886 468974405 /nfs/dbraw/zinc/97/44/05/468974405.db2.gz VJNPXYVUVUEJDY-KRWDZBQOSA-N 2 0 349.523 2.128 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000171721157 526437381 /nfs/dbraw/zinc/43/73/81/526437381.db2.gz VRWOMNXYNNCGGL-IBGZPJMESA-N 2 0 344.503 2.109 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000924144710 684687604 /nfs/dbraw/zinc/68/76/04/684687604.db2.gz DHMUWQHTZDBXLH-VQTJNVASSA-N 2 0 341.499 2.475 10 30 EEEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001272701142 1191960231 /nfs/dbraw/zinc/96/02/31/1191960231.db2.gz UBCJVYDTEFFJLP-MRXNPFEDSA-N 2 0 327.472 2.319 10 30 EEEERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001266725309 1177309766 /nfs/dbraw/zinc/30/97/66/1177309766.db2.gz CJNHLMCIRJDEAD-CALCHBBNSA-N 2 0 346.450 2.166 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267088162 1178213365 /nfs/dbraw/zinc/21/33/65/1178213365.db2.gz XUBVWAMBWHXDJP-WOJBJXKFSA-N 2 0 341.499 2.397 10 30 EEEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001267934600 1180785503 /nfs/dbraw/zinc/78/55/03/1180785503.db2.gz VWTQDQTZZLEVAC-WGSAOQKQSA-N 2 0 331.504 2.149 10 30 EEEERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC001481346762 1181083945 /nfs/dbraw/zinc/08/39/45/1181083945.db2.gz CFAVTIINKWTUBC-IBGZPJMESA-N 2 0 342.487 2.369 10 30 EEEERP C#CC[NH2+][C@H](CNC(=O)CN(C)Cc1ccccc1)c1ccccc1 ZINC001481374470 1181154211 /nfs/dbraw/zinc/15/42/11/1181154211.db2.gz PWATXKZGLUSAOU-HXUWFJFHSA-N 2 0 335.451 2.199 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001268138899 1181798596 /nfs/dbraw/zinc/79/85/96/1181798596.db2.gz AQAHQBNWYUBPPE-APWZRJJASA-N 2 0 327.472 2.212 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001268214881 1182024459 /nfs/dbraw/zinc/02/44/59/1182024459.db2.gz XNAXMABNTCHUOX-IEBWSBKVSA-N 2 0 333.520 2.395 10 30 EEEERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001482058397 1183264036 /nfs/dbraw/zinc/26/40/36/1183264036.db2.gz BTVBTORPGONJBR-WOJBJXKFSA-N 2 0 339.483 2.103 10 30 EEEERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001268703930 1183625363 /nfs/dbraw/zinc/62/53/63/1183625363.db2.gz UKNYLIRAWKQNLP-MAUKXSAKSA-N 2 0 349.906 2.372 10 30 EEEERP CCC[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001270568002 1185178370 /nfs/dbraw/zinc/17/83/70/1185178370.db2.gz KFWDFRVJLUHZOU-INIZCTEOSA-N 2 0 349.906 2.375 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001271154422 1185978118 /nfs/dbraw/zinc/97/81/18/1185978118.db2.gz FABKZUSIHAYDNO-IBGZPJMESA-N 2 0 341.499 2.207 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC2=CCCCC2)CC1 ZINC001271215344 1186085193 /nfs/dbraw/zinc/08/51/93/1186085193.db2.gz FTTGMFAIFSKXEY-KRWDZBQOSA-N 2 0 331.504 2.269 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001271528979 1186293119 /nfs/dbraw/zinc/29/31/19/1186293119.db2.gz DJBNWHXEULCGIZ-QUCCMNQESA-N 2 0 341.499 2.011 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482888368 1187814783 /nfs/dbraw/zinc/81/47/83/1187814783.db2.gz JKZFCZCQAGNQDT-ZBFHGGJFSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCC2)CC1 ZINC001671385594 1188503472 /nfs/dbraw/zinc/50/34/72/1188503472.db2.gz YXDRPAQCHRYKCO-HXUWFJFHSA-N 2 0 345.531 2.493 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483161191 1188976538 /nfs/dbraw/zinc/97/65/38/1188976538.db2.gz YAZKYCPDUKSZQQ-YCPHGPKFSA-N 2 0 346.450 2.022 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483172539 1189024379 /nfs/dbraw/zinc/02/43/79/1189024379.db2.gz RGHKWQUUSSERLL-MOPGFXCFSA-N 2 0 341.499 2.397 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001485884893 1193629590 /nfs/dbraw/zinc/62/95/90/1193629590.db2.gz DQLLGUIPQSZDSJ-ICSRJNTNSA-N 2 0 341.499 2.072 10 30 EEEERP C[C@@H]([NH2+]Cc1cc(F)ccc1C#N)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001409427613 1189661596 /nfs/dbraw/zinc/66/15/96/1189661596.db2.gz XYKXXHCAFSQBRI-KGLIPLIRSA-N 2 0 346.450 2.022 10 30 EEEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001485899571 1193644468 /nfs/dbraw/zinc/64/44/68/1193644468.db2.gz XMEJSXQFMVHSFR-HNNXBMFYSA-N 2 0 327.432 2.284 10 30 EEEERP CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001485946483 1193654849 /nfs/dbraw/zinc/65/48/49/1193654849.db2.gz FABMSXZRNOGNJO-QGZVFWFLSA-N 2 0 347.478 2.346 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CCC(=C)C)CC1 ZINC001483986365 1191142835 /nfs/dbraw/zinc/14/28/35/1191142835.db2.gz CRYWGYNUPRSLPH-IBGZPJMESA-N 2 0 331.504 2.363 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001484522278 1191396984 /nfs/dbraw/zinc/39/69/84/1191396984.db2.gz GFGXADBRKRVCSZ-HOTGVXAUSA-N 2 0 327.900 2.442 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001484532977 1191401821 /nfs/dbraw/zinc/40/18/21/1191401821.db2.gz QWTIJPIHTMJBMG-SFHVURJKSA-N 2 0 341.499 2.256 10 30 EEEERP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001484555858 1191417566 /nfs/dbraw/zinc/41/75/66/1191417566.db2.gz BCNGUAQLXRRMQO-UHFFFAOYSA-N 2 0 327.472 2.100 10 30 EEEERP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001485042972 1191623619 /nfs/dbraw/zinc/62/36/19/1191623619.db2.gz HEXLVRPPEHPQPF-YFVAEKQCSA-N 2 0 339.483 2.256 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001486211060 1193751284 /nfs/dbraw/zinc/75/12/84/1193751284.db2.gz SJVGEUPWMSHJOH-KBXCAEBGSA-N 2 0 346.450 2.024 10 30 EEEERP C=CCC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C(F)(F)F ZINC001486452729 1193974305 /nfs/dbraw/zinc/97/43/05/1193974305.db2.gz NNZCLJSZRLHCPO-KGLIPLIRSA-N 2 0 347.425 2.416 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H]1C ZINC001410844398 1198494309 /nfs/dbraw/zinc/49/43/09/1198494309.db2.gz JDWSPXYKQICAOI-RDTXWAMCSA-N 2 0 346.450 2.117 10 30 EEEERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000867959883 1201715657 /nfs/dbraw/zinc/71/56/57/1201715657.db2.gz CUNQDQSOECBVQI-BFUOFWGJSA-N 2 0 334.423 2.081 10 30 EEEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001274961137 1205217755 /nfs/dbraw/zinc/21/77/55/1205217755.db2.gz YJXINDZSKQLOSA-UHFFFAOYSA-N 2 0 333.520 2.302 10 30 EEEERP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001489337050 1290521355 /nfs/dbraw/zinc/52/13/55/1290521355.db2.gz HHRXYNGAKLATRO-CQSZACIVSA-N 2 0 348.516 2.035 10 30 EEEERP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001490773339 1291715899 /nfs/dbraw/zinc/71/58/99/1291715899.db2.gz ZORXMFIQDZWCTM-ZBFHGGJFSA-N 2 0 327.900 2.251 10 30 EEEERP C#CCC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277454348 1303178566 /nfs/dbraw/zinc/17/85/66/1303178566.db2.gz LHYYWHDFZWKLGS-UYAOXDASSA-N 2 0 341.499 2.358 10 30 EEEERP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001277786208 1304485051 /nfs/dbraw/zinc/48/50/51/1304485051.db2.gz UTMQZSYVUBXGSI-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001277907038 1305049459 /nfs/dbraw/zinc/04/94/59/1305049459.db2.gz IJSQGJHJEGCKDX-MAUKXSAKSA-N 2 0 347.890 2.222 10 30 EEEERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001264997369 1322845384 /nfs/dbraw/zinc/84/53/84/1322845384.db2.gz CNSQLFXFUMTHFR-SFHVURJKSA-N 2 0 348.466 2.222 10 30 EEEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001281839906 1325482282 /nfs/dbraw/zinc/48/22/82/1325482282.db2.gz HPJWJSXKCMIYKB-UHFFFAOYSA-N 2 0 333.520 2.302 10 30 EEEERP C=C(Br)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284026651 1326368598 /nfs/dbraw/zinc/36/85/98/1326368598.db2.gz QVJFZBWYQXMFOV-ZIAGYGMSSA-N 2 0 346.313 2.206 10 30 EEEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001316660357 1329897210 /nfs/dbraw/zinc/89/72/10/1329897210.db2.gz MYHIWIWPWRJENF-FRQCXROJSA-N 2 0 337.483 2.097 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001317103948 1332081085 /nfs/dbraw/zinc/08/10/85/1332081085.db2.gz BTVCYGKMPAXXHM-KSZLIROESA-N 2 0 345.874 2.023 10 30 EEEERP C#CCC[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCCC1 ZINC001319353271 1332690058 /nfs/dbraw/zinc/69/00/58/1332690058.db2.gz FLNBNUMSGNWVGT-UHFFFAOYSA-N 2 0 333.501 2.465 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001319592022 1332725948 /nfs/dbraw/zinc/72/59/48/1332725948.db2.gz GJZLZKZFOLSBRA-MRXNPFEDSA-N 2 0 349.906 2.468 10 30 EEEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001324935349 1333790650 /nfs/dbraw/zinc/79/06/50/1333790650.db2.gz CYNSZWCVYHZUCY-LJQANCHMSA-N 2 0 330.476 2.166 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001325453966 1333889268 /nfs/dbraw/zinc/88/92/68/1333889268.db2.gz COHCAYHCEPQPRG-ICSRJNTNSA-N 2 0 341.499 2.207 10 30 EEEERP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001325630524 1333928019 /nfs/dbraw/zinc/92/80/19/1333928019.db2.gz UFEOLCQUEOHREL-OKYOBFRVSA-N 2 0 331.504 2.243 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCO1 ZINC001327035045 1334208187 /nfs/dbraw/zinc/20/81/87/1334208187.db2.gz NBYJCJQQHBMSNJ-ROUUACIJSA-N 2 0 337.508 2.033 10 30 EEEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001327488124 1334300708 /nfs/dbraw/zinc/30/07/08/1334300708.db2.gz CRNNGRIKIIJIAS-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CCCC=C)CC2)CC1 ZINC001328049036 1334384359 /nfs/dbraw/zinc/38/43/59/1334384359.db2.gz DGARKXGPOXZSNP-UHFFFAOYSA-N 2 0 331.504 2.269 10 30 EEEERP C#CCC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001329256003 1334616195 /nfs/dbraw/zinc/61/61/95/1334616195.db2.gz UNIJUMBGKSJELX-UHFFFAOYSA-N 2 0 345.531 2.491 10 30 EEEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001330916769 1334926425 /nfs/dbraw/zinc/92/64/25/1334926425.db2.gz OHPDSXBNOWROJW-CRAIPNDOSA-N 2 0 325.472 2.097 10 30 EEEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001331289961 1334991474 /nfs/dbraw/zinc/99/14/74/1334991474.db2.gz OMOFFJPLVZDUSS-RTBURBONSA-N 2 0 331.504 2.243 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001332138581 1335739696 /nfs/dbraw/zinc/73/96/96/1335739696.db2.gz ATQNUMDOFLKIMI-CEXWTWQISA-N 2 0 345.531 2.491 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567021512 1342680894 /nfs/dbraw/zinc/68/08/94/1342680894.db2.gz MDDYUZSDKHWIOX-HKUYNNGSSA-N 2 0 327.472 2.007 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676018863 1357090514 /nfs/dbraw/zinc/09/05/14/1357090514.db2.gz VASZGCRGNKFFLU-PBHICJAKSA-N 2 0 346.450 2.024 10 30 EEEERP CC#CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001676821122 1357213589 /nfs/dbraw/zinc/21/35/89/1357213589.db2.gz RFFGSYJKMOTMIX-AZUAARDMSA-N 2 0 331.504 2.389 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCCC)C2)CC1 ZINC001676974656 1357253229 /nfs/dbraw/zinc/25/32/29/1357253229.db2.gz LLBDUBQEWCTUEI-IEBWSBKVSA-N 2 0 333.520 2.396 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C(F)(F)F ZINC001677049269 1357270340 /nfs/dbraw/zinc/27/03/40/1357270340.db2.gz XMXWJQDSWXWHRK-KGLIPLIRSA-N 2 0 347.425 2.273 10 30 EEEERP CC#CC[NH2+]C1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001662113693 1354751419 /nfs/dbraw/zinc/75/14/19/1354751419.db2.gz RQJUPPVZJJCFCX-UHFFFAOYSA-N 2 0 333.501 2.464 10 30 EEEERP C#CCC[NH2+]C1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001662129921 1354753245 /nfs/dbraw/zinc/75/32/45/1354753245.db2.gz HOSZBYNKFIRCFH-UHFFFAOYSA-N 2 0 341.499 2.445 10 30 EEEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001662780332 1354845202 /nfs/dbraw/zinc/84/52/02/1354845202.db2.gz XWHIUJMABIIXBH-PMACEKPBSA-N 2 0 341.499 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C)CC1 ZINC001666672353 1355562795 /nfs/dbraw/zinc/56/27/95/1355562795.db2.gz FAARZIIEGQDWLK-KRWDZBQOSA-N 2 0 335.536 2.500 10 30 EEEERP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001671972722 1356447160 /nfs/dbraw/zinc/44/71/60/1356447160.db2.gz WKOBTAJVEIRGTO-HNNXBMFYSA-N 2 0 331.451 2.366 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC2CC(C)C2)CC1 ZINC000940158179 778191886 /nfs/dbraw/zinc/19/18/86/778191886.db2.gz UAHSJGCSDICTEG-ABHNRTSZSA-N 2 0 331.504 2.101 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CC3CC(C)C3)CC2)CC1 ZINC000940472334 778703988 /nfs/dbraw/zinc/70/39/88/778703988.db2.gz SDUQARATEXVASG-UHFFFAOYSA-N 2 0 345.531 2.348 10 30 EEEERP C[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)Cc1ccc(C#N)cc1 ZINC001437480030 1089828291 /nfs/dbraw/zinc/82/82/91/1089828291.db2.gz BIXAKUMMPUNZQS-MOPGFXCFSA-N 2 0 340.471 2.123 10 30 EEEERP N#Cc1ccc(C[NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCCC2)s1 ZINC001438402213 1090889619 /nfs/dbraw/zinc/88/96/19/1090889619.db2.gz UVNKRNXEFMIZRX-UHFFFAOYSA-N 2 0 346.500 2.234 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001438423207 1090918691 /nfs/dbraw/zinc/91/86/91/1090918691.db2.gz XVZSMMKLZJNZKP-GRDNDAEWSA-N 2 0 327.900 2.344 10 30 EEEERP C[NH+](C)CCC(=O)NCCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001438457701 1090967322 /nfs/dbraw/zinc/96/73/22/1090967322.db2.gz SPMADWCZMBHSAX-UHFFFAOYSA-N 2 0 342.487 2.228 10 30 EEEERP C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001440986674 1094251240 /nfs/dbraw/zinc/25/12/40/1094251240.db2.gz GJIHKEKHQQVBSU-LPHOPBHVSA-N 2 0 342.487 2.369 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001441877980 1095999291 /nfs/dbraw/zinc/99/92/91/1095999291.db2.gz RONWNSHMKUYVCN-AZUAARDMSA-N 2 0 340.471 2.123 10 30 EEEERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(C#N)c2)C(C)(C)C)C1 ZINC001442174202 1096440354 /nfs/dbraw/zinc/44/03/54/1096440354.db2.gz KLHGNKCLATULQX-ROUUACIJSA-N 2 0 342.487 2.130 10 30 EEEERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccccc1C#N ZINC001442283695 1096595830 /nfs/dbraw/zinc/59/58/30/1096595830.db2.gz CPLOCEHVQQTKQS-MRXNPFEDSA-N 2 0 342.487 2.417 10 30 EEEERP C#CC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCC[C@@H]1C ZINC001495325094 1101032364 /nfs/dbraw/zinc/03/23/64/1101032364.db2.gz LMWGBACBNMVHJE-UWJYYQICSA-N 2 0 345.531 2.396 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC001495467186 1101177879 /nfs/dbraw/zinc/17/78/79/1101177879.db2.gz RGPMDGOWBXVMIZ-QAQDUYKDSA-N 2 0 346.450 2.166 10 30 EEEERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001495684891 1101435500 /nfs/dbraw/zinc/43/55/00/1101435500.db2.gz YCELZKPKLBDVQE-QFBILLFUSA-N 2 0 342.487 2.275 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(F)cc1C ZINC001497403944 1102436102 /nfs/dbraw/zinc/43/61/02/1102436102.db2.gz PNXQXBZBAJOHNZ-IBGZPJMESA-N 2 0 345.462 2.170 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001494147460 1103603077 /nfs/dbraw/zinc/60/30/77/1103603077.db2.gz MJWNPCIOKMUEAA-SFHVURJKSA-N 2 0 341.499 2.208 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001498197206 1107063577 /nfs/dbraw/zinc/06/35/77/1107063577.db2.gz GNDXJWCUFXKXRE-DLBZAZTESA-N 2 0 327.472 2.187 10 30 EEEERP C#CC[N@H+]1CCC[C@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001500498380 1112889610 /nfs/dbraw/zinc/88/96/10/1112889610.db2.gz HXSMUJNHEQDWRK-GOSISDBHSA-N 2 0 333.501 2.275 10 30 EEEERP C#CC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001501671272 1113426540 /nfs/dbraw/zinc/42/65/40/1113426540.db2.gz WKTGHZVAJJPWCV-CALCHBBNSA-N 2 0 327.472 2.241 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001507070676 1115092877 /nfs/dbraw/zinc/09/28/77/1115092877.db2.gz GXQRGNZJCPBJEE-KGLIPLIRSA-N 2 0 346.313 2.204 10 30 EEEERP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001508133469 1115425031 /nfs/dbraw/zinc/42/50/31/1115425031.db2.gz AIYOLACQGVOUCW-UHFFFAOYSA-N 2 0 346.450 2.118 10 30 EEEERP C=CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415123834 467496120 /nfs/dbraw/zinc/49/61/20/467496120.db2.gz JTFNTMUGPKWCAZ-QGZVFWFLSA-N 2 0 327.432 2.139 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000594439409 468587412 /nfs/dbraw/zinc/58/74/12/468587412.db2.gz VNXFTUUIDFRZKQ-QGZVFWFLSA-N 2 0 348.516 2.488 10 30 EEEERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439877 468587759 /nfs/dbraw/zinc/58/77/59/468587759.db2.gz VQHQEJHRZDWSKP-ROUUACIJSA-N 2 0 328.460 2.131 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000594439148 468588299 /nfs/dbraw/zinc/58/82/99/468588299.db2.gz SUPOOBAHHYEGCI-OALUTQOASA-N 2 0 342.487 2.078 10 30 EEEERP CC[NH+]=C(NCc1csc(CC)n1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262798925 688501095 /nfs/dbraw/zinc/50/10/95/688501095.db2.gz QNUMOJQWGPSVKA-OAHLLOKOSA-N 2 0 333.505 2.117 10 30 EEEERP C[NH+]=C(NCc1nc(C)c(C)s1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000089070544 692524452 /nfs/dbraw/zinc/52/44/52/692524452.db2.gz GINYRHICFXJAJY-GOOCMWNKSA-N 2 0 335.521 2.440 10 30 EEEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001272700467 1191863430 /nfs/dbraw/zinc/86/34/30/1191863430.db2.gz JQBZQPUSQRTKKZ-SJORKVTESA-N 2 0 327.472 2.319 10 30 EEEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001485649027 1191869849 /nfs/dbraw/zinc/86/98/49/1191869849.db2.gz DYQGRNWKCOQSNO-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP CC#CC[N@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001691181098 1177678958 /nfs/dbraw/zinc/67/89/58/1177678958.db2.gz PLOQGSDMBGQCEX-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001691208991 1177706733 /nfs/dbraw/zinc/70/67/33/1177706733.db2.gz NEUWBEBJABWIEY-QGZVFWFLSA-N 2 0 331.504 2.245 10 30 EEEERP C=C(Br)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001266980387 1177978515 /nfs/dbraw/zinc/97/85/15/1177978515.db2.gz UIQZEAXGXKINID-UONOGXRCSA-N 2 0 346.313 2.063 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cc(C)sc2C)CC1 ZINC001267116411 1178279527 /nfs/dbraw/zinc/27/95/27/1178279527.db2.gz AOKVWHGYJQDKQX-UHFFFAOYSA-N 2 0 347.528 2.258 10 30 EEEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001267189951 1178461361 /nfs/dbraw/zinc/46/13/61/1178461361.db2.gz BBSVKMCNEMGMSJ-MRXNPFEDSA-N 2 0 333.520 2.489 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C#N)ccc1F ZINC001267372173 1178873084 /nfs/dbraw/zinc/87/30/84/1178873084.db2.gz IEQIECZMCVEHCF-SFHVURJKSA-N 2 0 346.450 2.118 10 30 EEEERP C#CC[NH2+][C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001267378035 1178922936 /nfs/dbraw/zinc/92/29/36/1178922936.db2.gz VMWHLOBTSWSTPM-FQEVSTJZSA-N 2 0 339.483 2.189 10 30 EEEERP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001481067057 1179674178 /nfs/dbraw/zinc/67/41/78/1179674178.db2.gz ZVJKWYHAAGQWLI-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001481120046 1179800094 /nfs/dbraw/zinc/80/00/94/1179800094.db2.gz WEMOEXRKRMLAIB-PKOBYXMFSA-N 2 0 327.472 2.141 10 30 EEEERP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001267751951 1180411894 /nfs/dbraw/zinc/41/18/94/1180411894.db2.gz DBSPLSWGFZMIBS-SFHVURJKSA-N 2 0 333.520 2.445 10 30 EEEERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267809219 1180563112 /nfs/dbraw/zinc/56/31/12/1180563112.db2.gz HHCXFWUJLRGWKI-MOPGFXCFSA-N 2 0 345.462 2.146 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001267938348 1180794029 /nfs/dbraw/zinc/79/40/29/1180794029.db2.gz TYOQBCWHEIOJPC-UXHICEINSA-N 2 0 339.483 2.433 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001267939333 1180796004 /nfs/dbraw/zinc/79/60/04/1180796004.db2.gz LWVJTICCNJKNHM-UHFFFAOYSA-N 2 0 327.472 2.148 10 30 EEEERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001268403135 1182503713 /nfs/dbraw/zinc/50/37/13/1182503713.db2.gz IUPXKSYEXIDRGC-DYVFJYSZSA-N 2 0 334.439 2.022 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)Cc2cccc(F)c2)CC1 ZINC001268760576 1183676554 /nfs/dbraw/zinc/67/65/54/1183676554.db2.gz WIBWXRSMZQOSNF-MRXNPFEDSA-N 2 0 345.462 2.107 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001482199516 1183877895 /nfs/dbraw/zinc/87/78/95/1183877895.db2.gz GKZXLEXCQRBENJ-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)CC1 ZINC001269416005 1184251875 /nfs/dbraw/zinc/25/18/75/1184251875.db2.gz NWVNOZRRQGRTCP-RHSMWYFYSA-N 2 0 345.491 2.383 10 30 EEEERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001269535309 1184361366 /nfs/dbraw/zinc/36/13/66/1184361366.db2.gz HCDHARCFBMLGRC-UHFFFAOYSA-N 2 0 345.874 2.026 10 30 EEEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001269580058 1184407765 /nfs/dbraw/zinc/40/77/65/1184407765.db2.gz RGJMADINUPNUHX-YQQQUEKLSA-N 2 0 331.504 2.387 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001269746590 1184586070 /nfs/dbraw/zinc/58/60/70/1184586070.db2.gz FXWSRNSXAQHDPM-KRWDZBQOSA-N 2 0 338.455 2.498 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001270358836 1185044298 /nfs/dbraw/zinc/04/42/98/1185044298.db2.gz OJFBEBYYFAYYHK-UHFFFAOYSA-N 2 0 345.531 2.443 10 30 EEEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001271278881 1186118196 /nfs/dbraw/zinc/11/81/96/1186118196.db2.gz SYKLNNMXCIKNKE-MRXNPFEDSA-N 2 0 339.443 2.025 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001272763854 1193485611 /nfs/dbraw/zinc/48/56/11/1193485611.db2.gz XAFIUNGCVRLWRH-BXWFABGCSA-N 2 0 337.483 2.097 10 30 EEEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001691661392 1193611473 /nfs/dbraw/zinc/61/14/73/1193611473.db2.gz RZGQNYUUNFNPLI-IAGOWNOFSA-N 2 0 330.476 2.253 10 30 EEEERP C=CC[N@@H+](CCOC)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001483820824 1191049915 /nfs/dbraw/zinc/04/99/15/1191049915.db2.gz BTMSCQOWFQQRQA-UHFFFAOYSA-N 2 0 339.524 2.090 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC/C=C\CC)CC1 ZINC001483985958 1191143053 /nfs/dbraw/zinc/14/30/53/1191143053.db2.gz PQZXQYBBUOUTJF-LIXSYLKWSA-N 2 0 331.504 2.363 10 30 EEEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001483986504 1191143343 /nfs/dbraw/zinc/14/33/43/1191143343.db2.gz IAYWXALVQIGGRZ-UHFFFAOYSA-N 2 0 327.472 2.065 10 30 EEEERP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001484401606 1191335593 /nfs/dbraw/zinc/33/55/93/1191335593.db2.gz VNMMFVVNWVKZII-IBGZPJMESA-N 2 0 344.503 2.401 10 30 EEEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001484820528 1191539905 /nfs/dbraw/zinc/53/99/05/1191539905.db2.gz WSRRJHYUNHTRFW-GOSISDBHSA-N 2 0 333.520 2.491 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001484987627 1191603859 /nfs/dbraw/zinc/60/38/59/1191603859.db2.gz DJXGHRPBRGOQQB-CABCVRRESA-N 2 0 348.516 2.429 10 30 EEEERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485156288 1191668382 /nfs/dbraw/zinc/66/83/82/1191668382.db2.gz GITVHTGCXKKYQF-KBPBESRZSA-N 2 0 346.450 2.164 10 30 EEEERP CCC[N@H+](C)CC(=O)NCC1=CCN(CC#Cc2ccccc2)CC1 ZINC001486519125 1194040476 /nfs/dbraw/zinc/04/04/76/1194040476.db2.gz IBTNMMFCMPUZRG-UHFFFAOYSA-N 2 0 339.483 2.128 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCO1 ZINC001273308546 1198015542 /nfs/dbraw/zinc/01/55/42/1198015542.db2.gz LTCNKIFTCCRANX-RBUKOAKNSA-N 2 0 349.519 2.177 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353899 1199912055 /nfs/dbraw/zinc/91/20/55/1199912055.db2.gz WDHGABGYPMSJQP-YQVWRLOYSA-N 2 0 347.890 2.437 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000826674933 1204770189 /nfs/dbraw/zinc/77/01/89/1204770189.db2.gz XRKPQOZMQVSXRA-IBGZPJMESA-N 2 0 331.504 2.245 10 30 EEEERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001274339686 1205002488 /nfs/dbraw/zinc/00/24/88/1205002488.db2.gz OVNMGJXTZZQKOU-OOFWQKGWSA-N 2 0 346.450 2.046 10 30 EEEERP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001275120463 1205262201 /nfs/dbraw/zinc/26/22/01/1205262201.db2.gz CTTWBQAPTHVFDE-VQTJNVASSA-N 2 0 341.499 2.301 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001491263110 1258861278 /nfs/dbraw/zinc/86/12/78/1258861278.db2.gz DKQVOSRSLQDFPO-VQIMIIECSA-N 2 0 337.483 2.193 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)C1CC2(C1)C[C@H]([NH3+])CCO2)C(C)C ZINC001121990740 1310194491 /nfs/dbraw/zinc/19/44/91/1310194491.db2.gz HSFIXRWGKCKGHI-SFANZJOMSA-N 2 0 349.519 2.088 10 30 EEEERP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001278157196 1306133099 /nfs/dbraw/zinc/13/30/99/1306133099.db2.gz CYCOZFNBRHEPEY-UHFFFAOYSA-N 2 0 331.504 2.197 10 30 EEEERP C[C@@H]1[C@@H]([NH2+]CC#Cc2ccc(F)cc2)CCN1C(=O)CCC[NH+](C)C ZINC001278294030 1309084138 /nfs/dbraw/zinc/08/41/38/1309084138.db2.gz QQGVVBIVJXSQDU-APWZRJJASA-N 2 0 345.462 2.098 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001264586539 1322741074 /nfs/dbraw/zinc/74/10/74/1322741074.db2.gz RAHIXCUYNJPNSQ-RLLQIKCJSA-N 2 0 345.531 2.491 10 30 EEEERP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265396279 1323127427 /nfs/dbraw/zinc/12/74/27/1323127427.db2.gz AEGLTLJRHDTAFW-RTBURBONSA-N 2 0 333.520 2.443 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001265553962 1323217708 /nfs/dbraw/zinc/21/77/08/1323217708.db2.gz IYMJAAWHKQUANE-HDICACEKSA-N 2 0 347.890 2.270 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001265663056 1323305867 /nfs/dbraw/zinc/30/58/67/1323305867.db2.gz CUOGQWYMSJYGGB-PMACEKPBSA-N 2 0 339.483 2.103 10 30 EEEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)c(F)c1 ZINC001279709917 1323983120 /nfs/dbraw/zinc/98/31/20/1323983120.db2.gz JMQTWVZWXMNPEQ-SFHVURJKSA-N 2 0 345.462 2.449 10 30 EEEERP C=C(Br)C[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001281456562 1325117195 /nfs/dbraw/zinc/11/71/95/1325117195.db2.gz CSKANSVMZDGBBE-OCCSQVGLSA-N 2 0 346.313 2.063 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001281559793 1325278767 /nfs/dbraw/zinc/27/87/67/1325278767.db2.gz YNAZBPABIHSUJB-KRWDZBQOSA-N 2 0 349.519 2.034 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001281881015 1325498100 /nfs/dbraw/zinc/49/81/00/1325498100.db2.gz DKQVOSRSLQDFPO-LPHOPBHVSA-N 2 0 337.483 2.193 10 30 EEEERP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001284221676 1326465202 /nfs/dbraw/zinc/46/52/02/1326465202.db2.gz WZRHWNYGDCUVSD-MJGOQNOKSA-N 2 0 329.488 2.465 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC(=C)Cl)C(C)(C)C)CC1 ZINC001284652424 1326647228 /nfs/dbraw/zinc/64/72/28/1326647228.db2.gz INWYNTIRJZEUED-INIZCTEOSA-N 2 0 339.911 2.205 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001491682089 1330203905 /nfs/dbraw/zinc/20/39/05/1330203905.db2.gz IPRMNSDFWBSKGY-UONOGXRCSA-N 2 0 346.313 2.110 10 30 EEEERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1cccc(C#N)c1 ZINC001492450809 1331262827 /nfs/dbraw/zinc/26/28/27/1331262827.db2.gz ZNXWMNXGNORCKG-MOPGFXCFSA-N 2 0 340.471 2.123 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001316876951 1331945343 /nfs/dbraw/zinc/94/53/43/1331945343.db2.gz DBZRDQMJFZVVJN-IEBWSBKVSA-N 2 0 333.520 2.489 10 30 EEEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001316882328 1331948878 /nfs/dbraw/zinc/94/88/78/1331948878.db2.gz TUDCESQAROZREJ-WMZOPIPTSA-N 2 0 337.508 2.033 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001317355095 1332192212 /nfs/dbraw/zinc/19/22/12/1332192212.db2.gz KZXFIJHTBTXENQ-OALUTQOASA-N 2 0 345.462 2.146 10 30 EEEERP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)CCCCCC)CC2 ZINC001319145566 1332656946 /nfs/dbraw/zinc/65/69/46/1332656946.db2.gz UGDNZUGIIQIUGP-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001322089425 1333207047 /nfs/dbraw/zinc/20/70/47/1333207047.db2.gz SEHJQSTXYUBDNG-JKSUJKDBSA-N 2 0 345.462 2.326 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2(C)CC[NH+](CC(=C)C)CC2)CC1 ZINC001324903555 1333783484 /nfs/dbraw/zinc/78/34/84/1333783484.db2.gz AJOOYHJNGCVDMZ-UHFFFAOYSA-N 2 0 331.504 2.126 10 30 EEEERP C[C@H]1C[NH+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)N1CC#N ZINC001332021813 1335707592 /nfs/dbraw/zinc/70/75/92/1335707592.db2.gz PTUIKXIBZCOKOG-IRXDYDNUSA-N 2 0 330.476 2.045 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001332458541 1335828514 /nfs/dbraw/zinc/82/85/14/1335828514.db2.gz HWSAISIGOAPRMZ-ZFWWWQNUSA-N 2 0 347.425 2.273 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C(F)(F)F ZINC001332459365 1335828563 /nfs/dbraw/zinc/82/85/63/1335828563.db2.gz LGESESIXEORSNQ-GJZGRUSLSA-N 2 0 347.425 2.131 10 30 EEEERP C#CCC[NH+]1CCC(C2(NC(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001333180710 1335977274 /nfs/dbraw/zinc/97/72/74/1335977274.db2.gz RYXUFZQUXOXISL-UHFFFAOYSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)Cc2cccc(F)c2)CC1 ZINC001675051155 1356930128 /nfs/dbraw/zinc/93/01/28/1356930128.db2.gz XFDVDRVKQQEECU-MRXNPFEDSA-N 2 0 345.462 2.107 10 30 EEEERP C#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001567746868 1342832577 /nfs/dbraw/zinc/83/25/77/1342832577.db2.gz OVHKVTVXABYNNO-IBGZPJMESA-N 2 0 345.531 2.445 10 30 EEEERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001569846894 1342957434 /nfs/dbraw/zinc/95/74/34/1342957434.db2.gz HRCOPLKGZOBYGW-AZUAARDMSA-N 2 0 341.499 2.064 10 30 EEEERP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001571663379 1343265788 /nfs/dbraw/zinc/26/57/88/1343265788.db2.gz PJGHUWJRKINBNU-WWDZGPRUSA-N 2 0 337.508 2.033 10 30 EEEERP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001677612794 1357372481 /nfs/dbraw/zinc/37/24/81/1357372481.db2.gz PYOVKSBOGVZIHI-SFHVURJKSA-N 2 0 349.519 2.202 10 30 EEEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001656231750 1354217456 /nfs/dbraw/zinc/21/74/56/1354217456.db2.gz PGUKWVCVSWCADU-BHIYHBOVSA-N 2 0 327.472 2.187 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001664717708 1355221367 /nfs/dbraw/zinc/22/13/67/1355221367.db2.gz SSIZZFPMIJVIQP-OAHLLOKOSA-N 2 0 333.501 2.275 10 30 EEEERP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001665681750 1355357858 /nfs/dbraw/zinc/35/78/58/1355357858.db2.gz MSGXHFXSAQZRLT-IBGZPJMESA-N 2 0 342.487 2.323 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001668868864 1356029600 /nfs/dbraw/zinc/02/96/00/1356029600.db2.gz SWMBIBCVLFOGDU-PRPIBZDOSA-N 2 0 339.483 2.175 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C/C=C/c2ccccc2)CC1 ZINC001669750700 1356203543 /nfs/dbraw/zinc/20/35/43/1356203543.db2.gz OCEQCZZIKAWAAI-HKMNZKMDSA-N 2 0 339.483 2.139 10 30 EEEERP C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC[NH+](CCCF)CC1 ZINC001671481209 1356346773 /nfs/dbraw/zinc/34/67/73/1356346773.db2.gz CWBHLXIBBKTLLL-QGZVFWFLSA-N 2 0 337.483 2.147 10 30 EEEERP C#CC[N@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001671912509 1356437542 /nfs/dbraw/zinc/43/75/42/1356437542.db2.gz OETGTICUNICFMC-HXUWFJFHSA-N 2 0 327.472 2.213 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001672994624 1356628636 /nfs/dbraw/zinc/62/86/36/1356628636.db2.gz HULDKCBIEFRZMV-GUDVDZBRSA-N 2 0 333.520 2.395 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001691898139 1356918376 /nfs/dbraw/zinc/91/83/76/1356918376.db2.gz JSSUNLVQUOOZOI-KRWDZBQOSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCCCC)C2)CC1 ZINC001699015478 1405229987 /nfs/dbraw/zinc/22/99/87/1405229987.db2.gz KFORWYUEXWYONC-PMACEKPBSA-N 2 0 345.531 2.445 10 30 EEEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001699983766 1405627438 /nfs/dbraw/zinc/62/74/38/1405627438.db2.gz DKBXMPPOYRIWEF-HXUWFJFHSA-N 2 0 341.499 2.358 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748144 779207387 /nfs/dbraw/zinc/20/73/87/779207387.db2.gz VFIBGBRMCSWRLL-QGZVFWFLSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000907332647 784530535 /nfs/dbraw/zinc/53/05/35/784530535.db2.gz YEKVJBUAABHJOV-UHFFFAOYSA-N 2 0 345.487 2.262 10 30 EEEERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(OCC#N)cc1 ZINC000817984210 785134394 /nfs/dbraw/zinc/13/43/94/785134394.db2.gz WBFRFXBQMJMHNT-IPJUCJBFSA-N 2 0 342.487 2.456 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC001438300965 1090781129 /nfs/dbraw/zinc/78/11/29/1090781129.db2.gz LWIHCKKFAFRWAF-RHSMWYFYSA-N 2 0 348.516 2.479 10 30 EEEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001479688836 1098749449 /nfs/dbraw/zinc/74/94/49/1098749449.db2.gz MOVJFFCKALUJLJ-OALUTQOASA-N 2 0 333.520 2.491 10 30 EEEERP N#Cc1ccccc1C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001444530580 1099296593 /nfs/dbraw/zinc/29/65/93/1099296593.db2.gz BFYULKTVUZPGEE-UHFFFAOYSA-N 2 0 340.471 2.173 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001480596208 1100445155 /nfs/dbraw/zinc/44/51/55/1100445155.db2.gz JHUOCQKGBAFINU-OXJNMPFZSA-N 2 0 339.483 2.113 10 30 EEEERP CC[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1 ZINC001495139301 1100809470 /nfs/dbraw/zinc/80/94/70/1100809470.db2.gz NEWKQUJOSOZUTL-FQEVSTJZSA-N 2 0 341.499 2.399 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001496603451 1101203714 /nfs/dbraw/zinc/20/37/14/1101203714.db2.gz ROVQIEJUELNTTR-QFBILLFUSA-N 2 0 342.487 2.130 10 30 EEEERP C#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@H]21 ZINC001496861409 1101626973 /nfs/dbraw/zinc/62/69/73/1101626973.db2.gz STBDIHOCRWHRGP-IEBWSBKVSA-N 2 0 331.504 2.197 10 30 EEEERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001495047534 1104685497 /nfs/dbraw/zinc/68/54/97/1104685497.db2.gz VPPNRZHMRPOXOP-YSIASYRMSA-N 2 0 341.499 2.253 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480597326 1106736360 /nfs/dbraw/zinc/73/63/60/1106736360.db2.gz OXRIAXGVSGPDPN-APWZRJJASA-N 2 0 345.462 2.146 10 30 EEEERP CC[N@H+](C)CCC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480801459 1107141126 /nfs/dbraw/zinc/14/11/26/1107141126.db2.gz RSYRMOKPCNECTF-INIZCTEOSA-N 2 0 333.451 2.003 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001493546927 1108294284 /nfs/dbraw/zinc/29/42/84/1108294284.db2.gz YJXANCKGPOYPNJ-UHFFFAOYSA-N 2 0 341.499 2.351 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CCCF)CC1 ZINC001500052125 1112594497 /nfs/dbraw/zinc/59/44/97/1112594497.db2.gz SJRDTGORCSINMT-HKUYNNGSSA-N 2 0 349.494 2.289 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001500057852 1112596358 /nfs/dbraw/zinc/59/63/58/1112596358.db2.gz OPTPDPVPSQHIDJ-IBGZPJMESA-N 2 0 345.531 2.445 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCO1 ZINC001502079857 1113579856 /nfs/dbraw/zinc/57/98/56/1113579856.db2.gz YJWLRTADYAUYTO-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001507352118 1115215418 /nfs/dbraw/zinc/21/54/18/1115215418.db2.gz WRQWJJOPIQNQLN-AZUAARDMSA-N 2 0 340.471 2.123 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCC2CC2)CC1 ZINC001568545446 1124604533 /nfs/dbraw/zinc/60/45/33/1124604533.db2.gz QEXAHMUZWSJKKR-RBUKOAKNSA-N 2 0 331.504 2.006 10 30 EEEERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000566109782 319246003 /nfs/dbraw/zinc/24/60/03/319246003.db2.gz UDNYLDGXJBYDIZ-SFHVURJKSA-N 2 0 331.460 2.010 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)CC1 ZINC000246199075 464557721 /nfs/dbraw/zinc/55/77/21/464557721.db2.gz MWVJKBCSQYGNOA-MSOLQXFVSA-N 2 0 334.508 2.295 10 30 EEEERP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]2CCCC2)o1 ZINC000594439270 468587353 /nfs/dbraw/zinc/58/73/53/468587353.db2.gz UQHYRBAFBZWEOR-HOTGVXAUSA-N 2 0 332.448 2.252 10 30 EEEERP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000600719861 468633927 /nfs/dbraw/zinc/63/39/27/468633927.db2.gz LEWNVWRKFLDIOJ-IBGZPJMESA-N 2 0 345.487 2.299 10 30 EEEERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000596654010 469322996 /nfs/dbraw/zinc/32/29/96/469322996.db2.gz NJOSNYMQNVXNDI-IBGZPJMESA-N 2 0 340.471 2.126 10 30 EEEERP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)CC1 ZINC000093132886 529151648 /nfs/dbraw/zinc/15/16/48/529151648.db2.gz GJJYYRILEHEHRU-PKOBYXMFSA-N 2 0 342.487 2.189 10 30 EEEERP CCC[NH+]1CCC(CNC(=[NH+]CC)N2CC[C@@]3(CCOC3)C2)CC1 ZINC000262011341 682838809 /nfs/dbraw/zinc/83/88/09/682838809.db2.gz WPWVACWLHGYMOX-LJQANCHMSA-N 2 0 336.524 2.186 10 30 EEEERP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001485739062 1191916370 /nfs/dbraw/zinc/91/63/70/1191916370.db2.gz KRNJRPXOJHBOKS-QRQLOZEOSA-N 2 0 329.488 2.392 10 30 EEEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001485815307 1191979174 /nfs/dbraw/zinc/97/91/74/1191979174.db2.gz HXSMUIWBFRUGPB-SFHVURJKSA-N 2 0 333.520 2.489 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001266538875 1176787813 /nfs/dbraw/zinc/78/78/13/1176787813.db2.gz XBGCUTKLIUHUFE-HNNXBMFYSA-N 2 0 325.416 2.038 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001267026719 1178114333 /nfs/dbraw/zinc/11/43/33/1178114333.db2.gz SIQIFDSFADQCJR-FQEVSTJZSA-N 2 0 345.531 2.493 10 30 EEEERP C[C@@H](C(=O)N(C)CC[NH2+]Cc1cccc(C#N)c1)[NH+]1CCCCCC1 ZINC001267436617 1179009928 /nfs/dbraw/zinc/00/99/28/1179009928.db2.gz MEABYHQEFXWUNT-KRWDZBQOSA-N 2 0 342.487 2.371 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC2CC(C)(C)C2)C2CC2)CC1 ZINC001481200648 1180088088 /nfs/dbraw/zinc/08/80/88/1180088088.db2.gz QWGOPPKNUCNAKU-UHFFFAOYSA-N 2 0 345.531 2.348 10 30 EEEERP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001267767330 1180454781 /nfs/dbraw/zinc/45/47/81/1180454781.db2.gz PCJDRXNTZTYKDJ-LJQANCHMSA-N 2 0 339.483 2.055 10 30 EEEERP C#CC[NH2+]CCC1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001267914951 1180755858 /nfs/dbraw/zinc/75/58/58/1180755858.db2.gz SJESEVSNWRHSQD-IBGZPJMESA-N 2 0 337.483 2.050 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268078665 1181686933 /nfs/dbraw/zinc/68/69/33/1181686933.db2.gz HFDYINYVLWVRMJ-CRAIPNDOSA-N 2 0 347.890 2.222 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)c2ccc3c[nH+]cn3c2C)cc1 ZINC001482032110 1183173492 /nfs/dbraw/zinc/17/34/92/1183173492.db2.gz MOTBBSWNLBXMKG-UHFFFAOYSA-N 2 0 332.407 2.296 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001482173163 1183500040 /nfs/dbraw/zinc/50/00/40/1183500040.db2.gz GXIXHLMNJSZFAJ-MRXNPFEDSA-N 2 0 349.906 2.374 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268695323 1183617295 /nfs/dbraw/zinc/61/72/95/1183617295.db2.gz ZQQSOQHDEIIGES-ICSRJNTNSA-N 2 0 341.499 2.253 10 30 EEEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001269565241 1184396411 /nfs/dbraw/zinc/39/64/11/1184396411.db2.gz SGKOLIZTNJJADD-HQSKLWIPSA-N 2 0 337.483 2.191 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCCC)C2CCCC2)CC1 ZINC001270457785 1185108599 /nfs/dbraw/zinc/10/85/99/1185108599.db2.gz GVXUAYKAXLIOHK-IBGZPJMESA-N 2 0 333.520 2.396 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001271334218 1186144381 /nfs/dbraw/zinc/14/43/81/1186144381.db2.gz GVRHMHOUEHNYIK-MOPGFXCFSA-N 2 0 331.504 2.006 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001482851051 1187770305 /nfs/dbraw/zinc/77/03/05/1187770305.db2.gz LMYWLAQQXRQLIZ-MRXNPFEDSA-N 2 0 340.471 2.171 10 30 EEEERP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001272227180 1188432573 /nfs/dbraw/zinc/43/25/73/1188432573.db2.gz UFJGBGSYNYIYJG-OALUTQOASA-N 2 0 331.504 2.199 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001484002994 1191151878 /nfs/dbraw/zinc/15/18/78/1191151878.db2.gz ZNIQENFJVKJZLR-BMFZPTHFSA-N 2 0 327.900 2.344 10 30 EEEERP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)Cc2ncc[nH]2)CC1 ZINC001484401641 1191335672 /nfs/dbraw/zinc/33/56/72/1191335672.db2.gz XLRNUDNEEQNZNJ-UHFFFAOYSA-N 2 0 339.443 2.026 10 30 EEEERP CC#CC[NH+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001484581274 1191426072 /nfs/dbraw/zinc/42/60/72/1191426072.db2.gz DCXGXEOWISCANQ-UHFFFAOYSA-N 2 0 331.504 2.200 10 30 EEEERP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CCC[NH+]1CCCC1)O2 ZINC001484792140 1191527580 /nfs/dbraw/zinc/52/75/80/1191527580.db2.gz WQYOSBXYDQDNLS-GOSISDBHSA-N 2 0 349.519 2.178 10 30 EEEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001484812332 1191533080 /nfs/dbraw/zinc/53/30/80/1191533080.db2.gz UIQZVIMTBFZXRK-INIZCTEOSA-N 2 0 339.911 2.442 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001484891772 1191565979 /nfs/dbraw/zinc/56/59/79/1191565979.db2.gz LOWGDTQBDVTUSA-QAPCUYQASA-N 2 0 339.443 2.284 10 30 EEEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)c2cc(CN(C)C)on2)CC1 ZINC001485030879 1191621708 /nfs/dbraw/zinc/62/17/08/1191621708.db2.gz MLYYLPDXSDEGIW-UHFFFAOYSA-N 2 0 348.491 2.486 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001485229755 1191698978 /nfs/dbraw/zinc/69/89/78/1191698978.db2.gz LHFIPXHSGDPCQS-GJZGRUSLSA-N 2 0 333.501 2.076 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C(F)(F)F ZINC001486254561 1193782028 /nfs/dbraw/zinc/78/20/28/1193782028.db2.gz VFDDHDNRZUIAEC-GJZGRUSLSA-N 2 0 347.425 2.131 10 30 EEEERP C=CCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001486453229 1193975172 /nfs/dbraw/zinc/97/51/72/1193975172.db2.gz XEZWBNCYAMATOV-GJZGRUSLSA-N 2 0 347.425 2.417 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000876709044 1199732959 /nfs/dbraw/zinc/73/29/59/1199732959.db2.gz HSXYSEOYOZLWJJ-QWHCGFSZSA-N 2 0 327.881 2.471 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000876719515 1199738112 /nfs/dbraw/zinc/73/81/12/1199738112.db2.gz NEUZWKKSIQGPFA-INIZCTEOSA-N 2 0 339.842 2.376 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000876861749 1199797970 /nfs/dbraw/zinc/79/79/70/1199797970.db2.gz GACRVOMIWNXWRF-NUEKZKHPSA-N 2 0 339.842 2.105 10 30 EEEERP C(#CC[NH2+][C@@H]1CCC[C@]12CCCO2)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880504380 1201506203 /nfs/dbraw/zinc/50/62/03/1201506203.db2.gz WGZRCSPZNJIZKT-ZRNYENFQSA-N 2 0 332.488 2.372 10 30 EEEERP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000131143268 1202024606 /nfs/dbraw/zinc/02/46/06/1202024606.db2.gz JMUIFVZGOFCBMW-UHFFFAOYSA-N 2 0 338.459 2.356 10 30 EEEERP C=CCC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCCO1 ZINC000883173437 1202025544 /nfs/dbraw/zinc/02/55/44/1202025544.db2.gz KLNQFALJCBAJSP-RBUKOAKNSA-N 2 0 344.503 2.437 10 30 EEEERP C[C@@H](Cc1c[nH]cn1)C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001276272555 1205863772 /nfs/dbraw/zinc/86/37/72/1205863772.db2.gz ZPRTYLZHUDXJLX-KRWDZBQOSA-N 2 0 338.455 2.078 10 30 EEEERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001277074960 1301163719 /nfs/dbraw/zinc/16/37/19/1301163719.db2.gz QAKZUDAOOHHLGH-MXVIHJGJSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001277655939 1304110994 /nfs/dbraw/zinc/11/09/94/1304110994.db2.gz VEQZAHQRBMUZDX-PMACEKPBSA-N 2 0 345.531 2.491 10 30 EEEERP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001278183734 1306207420 /nfs/dbraw/zinc/20/74/20/1306207420.db2.gz BYXOGAXYYBXDGW-IBGZPJMESA-N 2 0 331.504 2.056 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)C(C)C ZINC001120479900 1309571526 /nfs/dbraw/zinc/57/15/26/1309571526.db2.gz DLCUGWCORPPVCB-KURKYZTESA-N 2 0 336.524 2.311 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)CC1 ZINC001121955323 1310184575 /nfs/dbraw/zinc/18/45/75/1310184575.db2.gz MAOQNONDHDLRIY-BGYRXZFFSA-N 2 0 346.519 2.154 10 30 EEEERP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001265061481 1322900530 /nfs/dbraw/zinc/90/05/30/1322900530.db2.gz SCERPSVIYVAAMD-GOSISDBHSA-N 2 0 348.466 2.222 10 30 EEEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265303789 1323055337 /nfs/dbraw/zinc/05/53/37/1323055337.db2.gz PCNXOPWKQDXPHP-MAUKXSAKSA-N 2 0 325.472 2.356 10 30 EEEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001265397140 1323128475 /nfs/dbraw/zinc/12/84/75/1323128475.db2.gz SLDCLAOZGBVRFY-GOSISDBHSA-N 2 0 333.520 2.465 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001265398702 1323129710 /nfs/dbraw/zinc/12/97/10/1323129710.db2.gz HKGWXXAWGFSHFY-IBGZPJMESA-N 2 0 333.520 2.446 10 30 EEEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001266102911 1323667430 /nfs/dbraw/zinc/66/74/30/1323667430.db2.gz NIWQANQKIYUOQF-OALUTQOASA-N 2 0 331.504 2.340 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CC#Cc1ccccc1 ZINC001281964213 1325539119 /nfs/dbraw/zinc/53/91/19/1325539119.db2.gz DAJNPYKUPPLUJF-FQEVSTJZSA-N 2 0 341.499 2.303 10 30 EEEERP CC#CC[NH+]1CCC(C2(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001284853443 1326745373 /nfs/dbraw/zinc/74/53/73/1326745373.db2.gz QTODVNBXFOXKNA-CALCHBBNSA-N 2 0 331.504 2.243 10 30 EEEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CCCN1Cc1ccccn1 ZINC001297380424 1329966500 /nfs/dbraw/zinc/96/65/00/1329966500.db2.gz YNWUWSPJACKOKK-GOSISDBHSA-N 2 0 330.476 2.012 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001491682535 1330204417 /nfs/dbraw/zinc/20/44/17/1330204417.db2.gz MRVGVQSEFXEAQR-XJKSGUPXSA-N 2 0 334.489 2.088 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001491884573 1330288527 /nfs/dbraw/zinc/28/85/27/1330288527.db2.gz CGSZIRBQXKPHPR-IAGOWNOFSA-N 2 0 346.450 2.166 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001317128555 1332089331 /nfs/dbraw/zinc/08/93/31/1332089331.db2.gz QSYYFJGJAVZNRC-KDURUIRLSA-N 2 0 331.504 2.149 10 30 EEEERP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1)CC(C)(C)C ZINC001317305927 1332172381 /nfs/dbraw/zinc/17/23/81/1332172381.db2.gz QHALABHUVWTKBM-IBGZPJMESA-N 2 0 341.499 2.207 10 30 EEEERP C#CCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC[NH+](CC=C)CC1 ZINC001324420165 1333678679 /nfs/dbraw/zinc/67/86/79/1333678679.db2.gz NMSJCZPRLBAFSP-FQEVSTJZSA-N 2 0 349.494 2.311 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001324960926 1333797279 /nfs/dbraw/zinc/79/72/79/1333797279.db2.gz LBIHNAQDKSFRMK-ICSRJNTNSA-N 2 0 333.520 2.491 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001325453967 1333889073 /nfs/dbraw/zinc/88/90/73/1333889073.db2.gz COHCAYHCEPQPRG-QUCCMNQESA-N 2 0 341.499 2.207 10 30 EEEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001325772231 1333957551 /nfs/dbraw/zinc/95/75/51/1333957551.db2.gz LKAWREMVXYDWTB-KDURUIRLSA-N 2 0 333.520 2.463 10 30 EEEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001327082929 1334218703 /nfs/dbraw/zinc/21/87/03/1334218703.db2.gz YDYZYAPKCMSPBV-IBGZPJMESA-N 2 0 345.487 2.145 10 30 EEEERP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001328082414 1334392517 /nfs/dbraw/zinc/39/25/17/1334392517.db2.gz OYWMUGVQIPBTQW-SFHVURJKSA-N 2 0 333.520 2.491 10 30 EEEERP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001328686107 1334499192 /nfs/dbraw/zinc/49/91/92/1334499192.db2.gz AQJMOKHYZYZWBS-YVWKXTFCSA-N 2 0 327.472 2.419 10 30 EEEERP C[N@H+](CCCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(C#N)cc1 ZINC001479815394 1337394821 /nfs/dbraw/zinc/39/48/21/1337394821.db2.gz HSUBBFCAXCMCLV-UHFFFAOYSA-N 2 0 342.487 2.372 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001671968342 1356445685 /nfs/dbraw/zinc/44/56/85/1356445685.db2.gz KJGZAGIPCJXITJ-LSDHHAIUSA-N 2 0 331.451 2.366 10 30 EEEERP C=CC[N@@H+](C)CC1CCN(C(=O)c2cc([C@H]3CCCN3C)[nH]n2)CC1 ZINC001567746872 1342832840 /nfs/dbraw/zinc/83/28/40/1342832840.db2.gz PAESOGNBXOPACN-GOSISDBHSA-N 2 0 345.491 2.146 10 30 EEEERP C=CCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCOCC1 ZINC001569727894 1342934651 /nfs/dbraw/zinc/93/46/51/1342934651.db2.gz OATXXYJHGCRHCB-UHFFFAOYSA-N 2 0 337.508 2.082 10 30 EEEERP C=CCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001571073258 1343161310 /nfs/dbraw/zinc/16/13/10/1343161310.db2.gz RQXFQKBQKCODIY-QGZVFWFLSA-N 2 0 349.519 2.034 10 30 EEEERP C#CCC[NH+]1CCC(C2(NC(=O)[C@H](F)C[NH+](CC)CC)CC2)CC1 ZINC001571669274 1343267440 /nfs/dbraw/zinc/26/74/40/1343267440.db2.gz VFTJOKNPFVRALL-QGZVFWFLSA-N 2 0 337.483 2.050 10 30 EEEERP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001677621441 1357375257 /nfs/dbraw/zinc/37/52/57/1357375257.db2.gz QNCZFDAQEOUUIP-MOPGFXCFSA-N 2 0 349.519 2.058 10 30 EEEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)Cc2cnccc2OC)C1 ZINC001656895458 1354296080 /nfs/dbraw/zinc/29/60/80/1354296080.db2.gz ZFPRJRKZDSPAGJ-KRWDZBQOSA-N 2 0 329.444 2.017 10 30 EEEERP CC[C@H](C(=O)N(C)CC[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001664178275 1355108193 /nfs/dbraw/zinc/10/81/93/1355108193.db2.gz LPHFVYDKPKYKBX-LJQANCHMSA-N 2 0 329.488 2.207 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccccc1Cl)NC(=O)CC[NH+](C)C ZINC001668197543 1355897149 /nfs/dbraw/zinc/89/71/49/1355897149.db2.gz QHCZKDXDNIFQFN-HNNXBMFYSA-N 2 0 335.879 2.128 10 30 EEEERP C#CCC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001672929501 1356617581 /nfs/dbraw/zinc/61/75/81/1356617581.db2.gz KSRKWDSDWRFZBN-QGZVFWFLSA-N 2 0 327.472 2.100 10 30 EEEERP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)C[C@@H]2C1 ZINC001675643605 1357027460 /nfs/dbraw/zinc/02/74/60/1357027460.db2.gz UMOLHYOAKYLTIH-OTWHNJEPSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001698862427 1405117968 /nfs/dbraw/zinc/11/79/68/1405117968.db2.gz YKLQSMSQOULFOF-MRXNPFEDSA-N 2 0 345.462 2.107 10 30 EEEERP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857718 779445726 /nfs/dbraw/zinc/44/57/26/779445726.db2.gz BNJYRWOJYXTXNW-ZWKOTPCHSA-N 2 0 333.520 2.347 10 30 EEEERP COCC[N@@H+]1CCC[C@H]1CNC(NC(C)(C)C)=[NH+]CCCSC ZINC000912508179 788214511 /nfs/dbraw/zinc/21/45/11/788214511.db2.gz IXMYJWXHIWXWKD-HNNXBMFYSA-N 2 0 344.569 2.184 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001445381563 1091123575 /nfs/dbraw/zinc/12/35/75/1091123575.db2.gz WKJOPQNSYUAQBR-QAPCUYQASA-N 2 0 328.460 2.027 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC(C)C)C2)CC1 ZINC001479915174 1099320800 /nfs/dbraw/zinc/32/08/00/1099320800.db2.gz LGAAXENEZILIFG-IBGZPJMESA-N 2 0 333.520 2.348 10 30 EEEERP C[C@H]([NH2+]Cc1ccccc1C#N)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444826781 1099771299 /nfs/dbraw/zinc/77/12/99/1099771299.db2.gz YTNNMQNOURMDQE-LPHOPBHVSA-N 2 0 342.487 2.227 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCCC=C)CC1 ZINC001480368449 1100145120 /nfs/dbraw/zinc/14/51/20/1100145120.db2.gz XCYQZTNUZQCHLV-IBGZPJMESA-N 2 0 331.504 2.269 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001480596207 1100444662 /nfs/dbraw/zinc/44/46/62/1100444662.db2.gz JHUOCQKGBAFINU-JXFKEZNVSA-N 2 0 339.483 2.113 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC001445360550 1100597825 /nfs/dbraw/zinc/59/78/25/1100597825.db2.gz LGEJRUOZSBDTCS-KDOFPFPSSA-N 2 0 346.450 2.164 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001495360984 1101075863 /nfs/dbraw/zinc/07/58/63/1101075863.db2.gz VWSJQTPCYDKLRX-QGZVFWFLSA-N 2 0 338.455 2.498 10 30 EEEERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001496533314 1101132884 /nfs/dbraw/zinc/13/28/84/1101132884.db2.gz GDZOIXVEKIWFKE-MSOLQXFVSA-N 2 0 346.450 2.022 10 30 EEEERP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001494018124 1103356107 /nfs/dbraw/zinc/35/61/07/1103356107.db2.gz DZDKSFVSEDUVHW-MSOLQXFVSA-N 2 0 331.504 2.102 10 30 EEEERP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC#Cc1ccccc1 ZINC001480769757 1107079691 /nfs/dbraw/zinc/07/96/91/1107079691.db2.gz BYMILYOWUNMHMZ-KRWDZBQOSA-N 2 0 327.472 2.007 10 30 EEEERP C#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1CC ZINC001498894404 1108290569 /nfs/dbraw/zinc/29/05/69/1108290569.db2.gz RCEGJEUGZHPEDN-ZWKOTPCHSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001493851562 1108738063 /nfs/dbraw/zinc/73/80/63/1108738063.db2.gz VONLDIXPDHMTHT-IEBWSBKVSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001505813425 1114209408 /nfs/dbraw/zinc/20/94/08/1114209408.db2.gz PFLCOZKFNHKLDV-KRWDZBQOSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[NH+]1CCC([C@H](C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001508090127 1115417286 /nfs/dbraw/zinc/41/72/86/1115417286.db2.gz KKWVXSAQYICPOK-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC001568238945 1124380279 /nfs/dbraw/zinc/38/02/79/1124380279.db2.gz ASFCVSYAAFLWSH-LJQANCHMSA-N 2 0 339.483 2.151 10 30 EEEERP CC#CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001568343277 1124427711 /nfs/dbraw/zinc/42/77/11/1124427711.db2.gz FKNTVWVKDSNYLR-GOSISDBHSA-N 2 0 331.504 2.293 10 30 EEEERP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001569170129 1125143274 /nfs/dbraw/zinc/14/32/74/1125143274.db2.gz RCPAXNLYLGLKRV-UXHICEINSA-N 2 0 341.499 2.059 10 30 EEEERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)s3)cn2)CC1 ZINC000343567481 161147506 /nfs/dbraw/zinc/14/75/06/161147506.db2.gz JARXHEUSXWFGRT-UHFFFAOYSA-N 2 0 341.484 2.446 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000171739633 463916871 /nfs/dbraw/zinc/91/68/71/463916871.db2.gz JFLSUOGPNWBQRX-UHFFFAOYSA-N 2 0 334.508 2.154 10 30 EEEERP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516318 464064470 /nfs/dbraw/zinc/06/44/70/464064470.db2.gz CRUNDBZGZJNNSF-DOTOQJQBSA-N 2 0 343.475 2.132 10 30 EEEERP C=CC[C@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000638799706 471224511 /nfs/dbraw/zinc/22/45/11/471224511.db2.gz FSMOIRFUEXXNHV-UYAOXDASSA-N 2 0 327.472 2.323 10 30 EEEERP C[NH+]=C(NCC1([NH+](C)C)CCCCC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262479998 686313632 /nfs/dbraw/zinc/31/36/32/686313632.db2.gz RFFLVAYGHHLBDG-INIZCTEOSA-N 2 0 346.523 2.049 10 30 EEEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001485649029 1191869777 /nfs/dbraw/zinc/86/97/77/1191869777.db2.gz DYQGRNWKCOQSNO-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001485650439 1191870337 /nfs/dbraw/zinc/87/03/37/1191870337.db2.gz MDYQXGWYUUORNW-LPHOPBHVSA-N 2 0 345.487 2.143 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001485727560 1191919489 /nfs/dbraw/zinc/91/94/89/1191919489.db2.gz MLSRUZVEJUEDEH-WMLDXEAASA-N 2 0 348.516 2.479 10 30 EEEERP C#CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CC2CC2)CC1 ZINC001671508490 1176866616 /nfs/dbraw/zinc/86/66/16/1176866616.db2.gz ZYBJNTPQJQSEBC-CALCHBBNSA-N 2 0 331.504 2.195 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001266614898 1176992389 /nfs/dbraw/zinc/99/23/89/1176992389.db2.gz UMXQKENNJCEPKM-QAQDUYKDSA-N 2 0 347.890 2.270 10 30 EEEERP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2cnccc2OC)C1 ZINC001266892481 1177730606 /nfs/dbraw/zinc/73/06/06/1177730606.db2.gz VWDUWLCSLOLKOM-HOTGVXAUSA-N 2 0 331.460 2.426 10 30 EEEERP CC(C)[N@@H+](CC#Cc1ccccc1)CCCNC(=O)C[NH+]1CCCC1 ZINC001267340419 1178790956 /nfs/dbraw/zinc/79/09/56/1178790956.db2.gz LAYORAYWRLYJFR-UHFFFAOYSA-N 2 0 341.499 2.351 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001267356212 1178817597 /nfs/dbraw/zinc/81/75/97/1178817597.db2.gz CHXZPACWYKKYMB-MOPGFXCFSA-N 2 0 327.472 2.330 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001267473390 1179106959 /nfs/dbraw/zinc/10/69/59/1179106959.db2.gz FDRAPQDLZSXTAT-UHFFFAOYSA-N 2 0 335.879 2.080 10 30 EEEERP C#CC[N@H+](C)CCC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001268199248 1181999935 /nfs/dbraw/zinc/99/99/35/1181999935.db2.gz GQFPACQGWBLAJV-UHFFFAOYSA-N 2 0 331.504 2.056 10 30 EEEERP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)C(C)C)[NH+](C)C ZINC001268224669 1182036042 /nfs/dbraw/zinc/03/60/42/1182036042.db2.gz VJMYYFCGZBYVRE-WOJBJXKFSA-N 2 0 343.515 2.355 10 30 EEEERP C=CCOCC[NH2+]C1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001282260708 1182249295 /nfs/dbraw/zinc/24/92/95/1182249295.db2.gz LCRDTKROXKORQH-UHFFFAOYSA-N 2 0 337.508 2.033 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001268549594 1183232283 /nfs/dbraw/zinc/23/22/83/1183232283.db2.gz QSBFCKHUDSQNLP-LIMHQNJXSA-N 2 0 346.500 2.256 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@H](C[NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001269109061 1183971622 /nfs/dbraw/zinc/97/16/22/1183971622.db2.gz CMXMVWQUGUWZPL-LJQANCHMSA-N 2 0 345.462 2.003 10 30 EEEERP C#CC[N@H+](C)CCC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001271801367 1186498614 /nfs/dbraw/zinc/49/86/14/1186498614.db2.gz ZELPPRMNQLIBON-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001482665319 1187543685 /nfs/dbraw/zinc/54/36/85/1187543685.db2.gz JGHPPFQPIREMIM-OALUTQOASA-N 2 0 331.504 2.199 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482860099 1187773862 /nfs/dbraw/zinc/77/38/62/1187773862.db2.gz FLQMDWDTEQSGRT-GOSISDBHSA-N 2 0 341.499 2.397 10 30 EEEERP C#CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001670924002 1193528095 /nfs/dbraw/zinc/52/80/95/1193528095.db2.gz REWITUBQDIVXRE-RTBURBONSA-N 2 0 333.520 2.445 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001483136785 1188690697 /nfs/dbraw/zinc/69/06/97/1188690697.db2.gz CRXCCEWPDVMOED-OAHLLOKOSA-N 2 0 347.890 2.270 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001483299124 1190321758 /nfs/dbraw/zinc/32/17/58/1190321758.db2.gz UARLCXOGSOMBFG-YOEHRIQHSA-N 2 0 348.516 2.334 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCCCF)C[C@H]2C)CC1 ZINC001486135548 1193691344 /nfs/dbraw/zinc/69/13/44/1193691344.db2.gz PZEHIJKJIVAJCP-SJLPKXTDSA-N 2 0 337.483 2.050 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001483959371 1191128233 /nfs/dbraw/zinc/12/82/33/1191128233.db2.gz RSZYYPATXDALQJ-KRWDZBQOSA-N 2 0 346.450 2.118 10 30 EEEERP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CCC(C)C)CC1 ZINC001483987466 1191143592 /nfs/dbraw/zinc/14/35/92/1191143592.db2.gz QSVGFDLFONJVIJ-SFHVURJKSA-N 2 0 333.520 2.301 10 30 EEEERP CCCC[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485471450 1191801337 /nfs/dbraw/zinc/80/13/37/1191801337.db2.gz HDAVEEVCUDWKFI-OALUTQOASA-N 2 0 342.487 2.275 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C(F)(F)F ZINC001486251789 1193779342 /nfs/dbraw/zinc/77/93/42/1193779342.db2.gz AEGBYRIOCCVUJC-KGLIPLIRSA-N 2 0 335.414 2.131 10 30 EEEERP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001486520766 1194042235 /nfs/dbraw/zinc/04/22/35/1194042235.db2.gz IRRSHBQKNNRPGM-MSOLQXFVSA-N 2 0 349.519 2.058 10 30 EEEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCO1 ZINC001273321860 1198126952 /nfs/dbraw/zinc/12/69/52/1198126952.db2.gz ACYNWJADHIYGCI-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000876719516 1199738059 /nfs/dbraw/zinc/73/80/59/1199738059.db2.gz NEUZWKKSIQGPFA-MRXNPFEDSA-N 2 0 339.842 2.376 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000876876320 1199802443 /nfs/dbraw/zinc/80/24/43/1199802443.db2.gz NRNBITHCPGFSHQ-QGZVFWFLSA-N 2 0 337.895 2.479 10 30 EEEERP C=CCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCCO1 ZINC000883170255 1202025206 /nfs/dbraw/zinc/02/52/06/1202025206.db2.gz PNJLRZQJOJVOGB-RTBURBONSA-N 2 0 344.503 2.437 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000826674935 1204770377 /nfs/dbraw/zinc/77/03/77/1204770377.db2.gz XRKPQOZMQVSXRA-LJQANCHMSA-N 2 0 331.504 2.245 10 30 EEEERP C=CCN1CCOC2(CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC001274872602 1205194055 /nfs/dbraw/zinc/19/40/55/1205194055.db2.gz NQWIRDZBAWQMEL-UHFFFAOYSA-N 2 0 349.519 2.132 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CCC2CC2)CC1 ZINC001275177579 1205274766 /nfs/dbraw/zinc/27/47/66/1205274766.db2.gz WDPICLAWHYHOGZ-IBGZPJMESA-N 2 0 331.504 2.055 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC001276053370 1205753797 /nfs/dbraw/zinc/75/37/97/1205753797.db2.gz WPPVCKMOBGJFFO-HKUYNNGSSA-N 2 0 327.472 2.283 10 30 EEEERP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CCc3cncn3C2)CCCCC1 ZINC001276208876 1205834213 /nfs/dbraw/zinc/83/42/13/1205834213.db2.gz SNFNXDJVGFXOAP-MRXNPFEDSA-N 2 0 330.476 2.430 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000923917093 1205926209 /nfs/dbraw/zinc/92/62/09/1205926209.db2.gz DGVPYVWFCMEKES-IBGZPJMESA-N 2 0 346.519 2.180 10 30 EEEERP C#Cc1ccc(NC(=O)CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000929833607 1206506510 /nfs/dbraw/zinc/50/65/10/1206506510.db2.gz DQOHUELCHXXTAS-UHFFFAOYSA-N 2 0 334.423 2.214 10 30 EEEERP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001273609742 1281120762 /nfs/dbraw/zinc/12/07/62/1281120762.db2.gz DPSZFVYMPFJEPB-UHFFFAOYSA-N 2 0 344.503 2.474 10 30 EEEERP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001490440497 1291309846 /nfs/dbraw/zinc/30/98/46/1291309846.db2.gz LILCHQKEAACYKR-MJGOQNOKSA-N 2 0 349.519 2.177 10 30 EEEERP C=CCC[C@@H](O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856590547 1293575116 /nfs/dbraw/zinc/57/51/16/1293575116.db2.gz WHSBTSLNYKSLJX-IEBWSBKVSA-N 2 0 333.476 2.314 10 30 EEEERP C=C(C)[C@@H](CO)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604060 1293579667 /nfs/dbraw/zinc/57/96/67/1293579667.db2.gz SIULHSHUWAFFOU-RTBURBONSA-N 2 0 333.476 2.312 10 30 EEEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001264555001 1322731310 /nfs/dbraw/zinc/73/13/10/1322731310.db2.gz ZJGBRZYKMZRBTH-QAPCUYQASA-N 2 0 338.455 2.496 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001264733936 1322794821 /nfs/dbraw/zinc/79/48/21/1322794821.db2.gz VBLMZEWQBUWLRP-APWZRJJASA-N 2 0 345.487 2.143 10 30 EEEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001265303785 1323054557 /nfs/dbraw/zinc/05/45/57/1323054557.db2.gz PAWHGNDJIPAYER-ZCNNSNEGSA-N 2 0 341.499 2.489 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001265456385 1323164747 /nfs/dbraw/zinc/16/47/47/1323164747.db2.gz QWYLMFRMYPOFEY-KRWDZBQOSA-N 2 0 347.890 2.224 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001279282157 1323864191 /nfs/dbraw/zinc/86/41/91/1323864191.db2.gz VDVOCNNQRAPDGQ-CADBVGFASA-N 2 0 331.504 2.149 10 30 EEEERP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001282664951 1325759909 /nfs/dbraw/zinc/75/99/09/1325759909.db2.gz CKFLRWFWLPFZKN-DLBZAZTESA-N 2 0 325.472 2.050 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001491829305 1330266503 /nfs/dbraw/zinc/26/65/03/1330266503.db2.gz IURCUNPYAFQWJX-PKOBYXMFSA-N 2 0 331.504 2.245 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001317156492 1332103587 /nfs/dbraw/zinc/10/35/87/1332103587.db2.gz YACQGJMUBDWTBX-HNNXBMFYSA-N 2 0 333.501 2.275 10 30 EEEERP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001317360397 1332194649 /nfs/dbraw/zinc/19/46/49/1332194649.db2.gz YXIZITOTXPNCQT-RTBURBONSA-N 2 0 329.488 2.364 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001317642727 1332344555 /nfs/dbraw/zinc/34/45/55/1332344555.db2.gz KZDKRSRBXRPILA-MOPGFXCFSA-N 2 0 340.471 2.123 10 30 EEEERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]CC#Cc1ccccc1 ZINC001319195250 1332663315 /nfs/dbraw/zinc/66/33/15/1332663315.db2.gz GJODJRJWILGBFK-QUCCMNQESA-N 2 0 341.499 2.254 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001320642809 1332927333 /nfs/dbraw/zinc/92/73/33/1332927333.db2.gz BCMVPMQJKQYYLG-APWZRJJASA-N 2 0 342.487 2.417 10 30 EEEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001323671036 1333513086 /nfs/dbraw/zinc/51/30/86/1333513086.db2.gz YGMHGFOFILFROR-YQQQUEKLSA-N 2 0 331.504 2.243 10 30 EEEERP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001325053020 1333819174 /nfs/dbraw/zinc/81/91/74/1333819174.db2.gz FTOULZQDXWUFLR-LSDHHAIUSA-N 2 0 331.451 2.222 10 30 EEEERP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001325051811 1333819248 /nfs/dbraw/zinc/81/92/48/1333819248.db2.gz RXHYAETWXBUYQK-BZUAXINKSA-N 2 0 343.462 2.366 10 30 EEEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001330916771 1334926542 /nfs/dbraw/zinc/92/65/42/1334926542.db2.gz OHPDSXBNOWROJW-QAPCUYQASA-N 2 0 325.472 2.097 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[NH+]1CCCC1 ZINC001330975594 1334938957 /nfs/dbraw/zinc/93/89/57/1334938957.db2.gz BIQFKESWJAXNIL-INIZCTEOSA-N 2 0 328.460 2.029 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC001332881345 1335924172 /nfs/dbraw/zinc/92/41/72/1335924172.db2.gz JHJOBVNQLSPCJR-SFHVURJKSA-N 2 0 333.520 2.252 10 30 EEEERP CC[C@@H](C(=O)N(CC)CC[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001568775749 1342853967 /nfs/dbraw/zinc/85/39/67/1342853967.db2.gz JSGNMEZTEDIUHK-SFHVURJKSA-N 2 0 349.906 2.470 10 30 EEEERP C=CC[N@H+]1CCc2c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cccc2C1 ZINC001570079172 1343010084 /nfs/dbraw/zinc/01/00/84/1343010084.db2.gz NWVFJOTUXKHICG-LJQANCHMSA-N 2 0 329.488 2.433 10 30 EEEERP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@]2(C)C1 ZINC001571060524 1343157549 /nfs/dbraw/zinc/15/75/49/1343157549.db2.gz YJVKYQKQBZLFMQ-YTQUADARSA-N 2 0 339.499 2.413 10 30 EEEERP CC#CC[N@H+](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001571332390 1343185571 /nfs/dbraw/zinc/18/55/71/1343185571.db2.gz DDEPCNBDDSVPJB-UHFFFAOYSA-N 2 0 341.499 2.350 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](Cc2ccccc2)[NH2+]CC)CC1 ZINC001571529201 1343230163 /nfs/dbraw/zinc/23/01/63/1343230163.db2.gz YVNFZVBPEHMDPG-HXUWFJFHSA-N 2 0 341.499 2.059 10 30 EEEERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001676480449 1357155498 /nfs/dbraw/zinc/15/54/98/1357155498.db2.gz BNPVHVIWPZCEQE-NVXWUHKLSA-N 2 0 347.890 2.080 10 30 EEEERP C=CC[NH2+][C@@H](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC001676898399 1357237363 /nfs/dbraw/zinc/23/73/63/1357237363.db2.gz NJZHVCUKYMEFQY-IBGZPJMESA-N 2 0 329.488 2.221 10 30 EEEERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1Cl ZINC001663007783 1354887332 /nfs/dbraw/zinc/88/73/32/1354887332.db2.gz DRDCLYFFWGZVFI-INIZCTEOSA-N 2 0 347.890 2.272 10 30 EEEERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001665765872 1355384866 /nfs/dbraw/zinc/38/48/66/1355384866.db2.gz PHHSHXIIFOOAGD-ROUUACIJSA-N 2 0 347.890 2.270 10 30 EEEERP C[NH+](C)CCCC(=O)NC1(C[NH2+]CC#Cc2ccccc2)CCCC1 ZINC001665944858 1355414137 /nfs/dbraw/zinc/41/41/37/1355414137.db2.gz YKKYFGBOWMJEHP-UHFFFAOYSA-N 2 0 341.499 2.399 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001667750552 1355805479 /nfs/dbraw/zinc/80/54/79/1355805479.db2.gz CWRBEELJLBWVGO-UXHICEINSA-N 2 0 341.499 2.059 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CC2CC2)CC1 ZINC001671481468 1356347702 /nfs/dbraw/zinc/34/77/02/1356347702.db2.gz LGDDOLVZTGGHNK-QUCCMNQESA-N 2 0 343.515 2.340 10 30 EEEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001671908125 1356436527 /nfs/dbraw/zinc/43/65/27/1356436527.db2.gz PDLLMJOBHIAHQE-QUCCMNQESA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC2CCCC2)CC1 ZINC001675048895 1356929282 /nfs/dbraw/zinc/92/92/82/1356929282.db2.gz HIXBLTUCLOVFND-QGZVFWFLSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001675343066 1356967872 /nfs/dbraw/zinc/96/78/72/1356967872.db2.gz JDFZGKIIGLRZMW-KSSFIOAISA-N 2 0 325.472 2.212 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)C1CC[NH+](C)CC1 ZINC001675966630 1357078997 /nfs/dbraw/zinc/07/89/97/1357078997.db2.gz URUJQVPVXCGWKA-CQSZACIVSA-N 2 0 348.516 2.336 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)C(C)C ZINC001681567418 1358033655 /nfs/dbraw/zinc/03/36/55/1358033655.db2.gz FAQWKOOOTHBNKL-INDMIFKZSA-N 2 0 348.535 2.324 10 30 EEEERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)c(F)c1 ZINC001689810995 1358306613 /nfs/dbraw/zinc/30/66/13/1358306613.db2.gz UPTZDMDILVHVSL-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940747988 779205954 /nfs/dbraw/zinc/20/59/54/779205954.db2.gz TTWARDSZMDRXQY-QGZVFWFLSA-N 2 0 333.520 2.491 10 30 EEEERP Cc1cc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc(C)c1C#N ZINC000912302644 788096570 /nfs/dbraw/zinc/09/65/70/788096570.db2.gz FMTSCBDGBSEXIB-INIZCTEOSA-N 2 0 330.476 2.177 10 30 EEEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001565974157 1125479751 /nfs/dbraw/zinc/47/97/51/1125479751.db2.gz WDPSXTBEGCCLLB-QYZOEREBSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001566533164 1125702625 /nfs/dbraw/zinc/70/26/25/1125702625.db2.gz CWEKRKANZUAEPT-XLIONFOSSA-N 2 0 345.531 2.491 10 30 EEEERP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001437987586 1090582332 /nfs/dbraw/zinc/58/23/32/1090582332.db2.gz YVNPFNZBUDQLQH-HOTGVXAUSA-N 2 0 327.900 2.392 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001449080318 1094093853 /nfs/dbraw/zinc/09/38/53/1094093853.db2.gz CIBBTWYBNUUPDK-SFHVURJKSA-N 2 0 342.487 2.227 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001479624733 1098649604 /nfs/dbraw/zinc/64/96/04/1098649604.db2.gz CTSJXIUJMYYZCR-GJZGRUSLSA-N 2 0 347.425 2.275 10 30 EEEERP C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479831962 1099113669 /nfs/dbraw/zinc/11/36/69/1099113669.db2.gz VBJNTGKARWDSEP-WMLDXEAASA-N 2 0 348.516 2.431 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001480022029 1099502269 /nfs/dbraw/zinc/50/22/69/1099502269.db2.gz UTLJXGMGNNGDAL-HKUYNNGSSA-N 2 0 331.504 2.149 10 30 EEEERP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001480382520 1100176079 /nfs/dbraw/zinc/17/60/79/1100176079.db2.gz JTLVJQIUJAQOLF-FUHWJXTLSA-N 2 0 342.487 2.227 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001496707237 1101308165 /nfs/dbraw/zinc/30/81/65/1101308165.db2.gz MUQNGVQQEBKIDB-RBUKOAKNSA-N 2 0 342.487 2.179 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001498099033 1106917799 /nfs/dbraw/zinc/91/77/99/1106917799.db2.gz OMWLCLHPQDSUIB-HNNXBMFYSA-N 2 0 335.879 2.128 10 30 EEEERP C#CC[NH+](C)CCCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC001468760873 1110480014 /nfs/dbraw/zinc/48/00/14/1110480014.db2.gz REQUFZXJZDPPLP-KRWDZBQOSA-N 2 0 336.524 2.141 10 30 EEEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001479401007 1110691409 /nfs/dbraw/zinc/69/14/09/1110691409.db2.gz WSNUZFLFAGSOEE-IIDMSEBBSA-N 2 0 325.472 2.259 10 30 EEEERP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001499570771 1112375476 /nfs/dbraw/zinc/37/54/76/1112375476.db2.gz UYQVZXXLPWJECR-PKOBYXMFSA-N 2 0 337.483 2.004 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001499904630 1112535363 /nfs/dbraw/zinc/53/53/63/1112535363.db2.gz PEHLTSLLFPVQNO-HNNXBMFYSA-N 2 0 325.884 2.196 10 30 EEEERP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001500018896 1112580832 /nfs/dbraw/zinc/58/08/32/1112580832.db2.gz QZXXUKNCWGLXPK-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001501058363 1113183910 /nfs/dbraw/zinc/18/39/10/1113183910.db2.gz NINYJYXWILXBEV-HZPDHXFCSA-N 2 0 339.443 2.284 10 30 EEEERP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001505416534 1113950466 /nfs/dbraw/zinc/95/04/66/1113950466.db2.gz NCJRBDZQFWQUHN-RTBURBONSA-N 2 0 339.483 2.420 10 30 EEEERP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]2C1 ZINC001506854454 1114918459 /nfs/dbraw/zinc/91/84/59/1114918459.db2.gz LPWZGIINBPGFOA-GBESFXJTSA-N 2 0 345.531 2.348 10 30 EEEERP CC#CC[NH2+][C@@H](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccccc1 ZINC001507390442 1115247264 /nfs/dbraw/zinc/24/72/64/1115247264.db2.gz VSPLFNGUEFHBFP-IBGZPJMESA-N 2 0 341.499 2.201 10 30 EEEERP C#CCC[NH2+][C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC1(C)C ZINC001507441542 1115271084 /nfs/dbraw/zinc/27/10/84/1115271084.db2.gz DMGPSTXRYNKVJJ-IBGZPJMESA-N 2 0 341.499 2.254 10 30 EEEERP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001507453900 1115278760 /nfs/dbraw/zinc/27/87/60/1115278760.db2.gz QAMUGOZUQBSNAF-QZTJIDSGSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC[C@@H](C)F)CC2)CC1 ZINC001568114488 1124309599 /nfs/dbraw/zinc/30/95/99/1124309599.db2.gz IZCLVEVDQBTPFU-KBAYOESNSA-N 2 0 337.483 2.097 10 30 EEEERP CC(C)C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+](C)C(C)C ZINC001568338649 1124425923 /nfs/dbraw/zinc/42/59/23/1124425923.db2.gz CWTQGQUOPJJNHE-HXUWFJFHSA-N 2 0 343.515 2.499 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001568671026 1124683847 /nfs/dbraw/zinc/68/38/47/1124683847.db2.gz JQJBHRUNAABDRC-AWEZNQCLSA-N 2 0 346.450 2.024 10 30 EEEERP N#CC1(c2ccccc2)CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000271083809 464279389 /nfs/dbraw/zinc/27/93/89/464279389.db2.gz SBDHQVSEKUWVRJ-GPJFCIFZSA-N 2 0 327.472 2.437 10 30 EEEERP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594444097 468590623 /nfs/dbraw/zinc/59/06/23/468590623.db2.gz XPJHWPXCNZVXSM-WDSOQIARSA-N 2 0 342.487 2.424 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000600999778 468713398 /nfs/dbraw/zinc/71/33/98/468713398.db2.gz GNWDVFUAQQPQNE-RBUKOAKNSA-N 2 0 342.487 2.179 10 30 EEEERP C[N@H+](C[C@H](O)CC1(C#N)CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302800 469201129 /nfs/dbraw/zinc/20/11/29/469201129.db2.gz KIIUADKVJSFZRZ-RBUKOAKNSA-N 2 0 327.472 2.495 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCCF)C2)CC1 ZINC001266252155 1176029502 /nfs/dbraw/zinc/02/95/02/1176029502.db2.gz NYLUMVUTNBYALA-SFHVURJKSA-N 2 0 337.483 2.052 10 30 EEEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001267361943 1178834184 /nfs/dbraw/zinc/83/41/84/1178834184.db2.gz LYULVAQXNGJEOY-RTBURBONSA-N 2 0 327.472 2.351 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001267937292 1180789406 /nfs/dbraw/zinc/78/94/06/1180789406.db2.gz YGSJUMDCNRCVHG-IBGZPJMESA-N 2 0 327.472 2.289 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001268702008 1183626639 /nfs/dbraw/zinc/62/66/39/1183626639.db2.gz PEDDQEZGCLDMPV-HNNXBMFYSA-N 2 0 335.879 2.128 10 30 EEEERP CC[C@H](C(=O)NC1(C[NH2+]CC#Cc2ccccc2)CCCC1)[NH+](C)C ZINC001269588802 1184414199 /nfs/dbraw/zinc/41/41/99/1184414199.db2.gz VVDCHYPEAPTXNR-LJQANCHMSA-N 2 0 341.499 2.397 10 30 EEEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001269921088 1184719441 /nfs/dbraw/zinc/71/94/41/1184719441.db2.gz YBUCCFHPQCCCKE-RBUKOAKNSA-N 2 0 331.504 2.245 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001482483720 1186185590 /nfs/dbraw/zinc/18/55/90/1186185590.db2.gz PQCSCKOJKDIRBJ-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001271853761 1186552656 /nfs/dbraw/zinc/55/26/56/1186552656.db2.gz MRJRUEREPQOYIP-HSALFYBXSA-N 2 0 345.531 2.465 10 30 EEEERP CC[N@H+](C)CCC(=O)N(C)CCN(C)CC#Cc1ccc(Cl)cc1 ZINC001272145076 1187952619 /nfs/dbraw/zinc/95/26/19/1187952619.db2.gz HRZLEONBRNPHQI-UHFFFAOYSA-N 2 0 349.906 2.424 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2ccc(CC)cc2)CC1 ZINC001691623371 1188323744 /nfs/dbraw/zinc/32/37/44/1188323744.db2.gz UNGXZEYUEKBUKM-UHFFFAOYSA-N 2 0 341.499 2.142 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C[NH2+]CC=C(C)C)C2CC2)CC1 ZINC001485839384 1193610442 /nfs/dbraw/zinc/61/04/42/1193610442.db2.gz YAWBELCWHZHESJ-LJQANCHMSA-N 2 0 331.504 2.124 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC001486135862 1193691766 /nfs/dbraw/zinc/69/17/66/1193691766.db2.gz RJCLNMFWFJRHQG-QFBILLFUSA-N 2 0 345.462 2.096 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001483915679 1191115025 /nfs/dbraw/zinc/11/50/25/1191115025.db2.gz HPQRLPRSHXKCFV-DLBZAZTESA-N 2 0 337.508 2.033 10 30 EEEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001484123520 1191222850 /nfs/dbraw/zinc/22/28/50/1191222850.db2.gz AYHKZUOAHZWETL-FQEVSTJZSA-N 2 0 327.472 2.213 10 30 EEEERP C#CC[N@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001484165861 1191253402 /nfs/dbraw/zinc/25/34/02/1191253402.db2.gz ZQHPXPOXZQABCQ-LJQANCHMSA-N 2 0 333.520 2.350 10 30 EEEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)CCc2nccn2C)CC1 ZINC001485030624 1191621094 /nfs/dbraw/zinc/62/10/94/1191621094.db2.gz IIBUAHZRTMPYRU-UHFFFAOYSA-N 2 0 332.492 2.489 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485081581 1191650462 /nfs/dbraw/zinc/65/04/62/1191650462.db2.gz GBAZPRALBHTHNX-CVEARBPZSA-N 2 0 327.900 2.251 10 30 EEEERP C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001493969301 1191791413 /nfs/dbraw/zinc/79/14/13/1191791413.db2.gz YZFURXUXGMIXTC-GOEBONIOSA-N 2 0 327.900 2.394 10 30 EEEERP C=CCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001486453228 1193974978 /nfs/dbraw/zinc/97/49/78/1193974978.db2.gz XEZWBNCYAMATOV-CABCVRRESA-N 2 0 347.425 2.417 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000876764593 1199763667 /nfs/dbraw/zinc/76/36/67/1199763667.db2.gz NATJXKHSPBGWOF-AWEZNQCLSA-N 2 0 345.940 2.324 10 30 EEEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCOCC1 ZINC001273980188 1202185466 /nfs/dbraw/zinc/18/54/66/1202185466.db2.gz VPKYSHYCTSTWLX-ROUUACIJSA-N 2 0 349.519 2.225 10 30 EEEERP C#CCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)C1CC[NH+](C)CC1 ZINC000886583132 1202527266 /nfs/dbraw/zinc/52/72/66/1202527266.db2.gz CCNWUKDMZVOXHI-UHFFFAOYSA-N 2 0 339.483 2.452 10 30 EEEERP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001275073037 1205249389 /nfs/dbraw/zinc/24/93/89/1205249389.db2.gz VORFTPDHNJLZKH-FBBABVLZSA-N 2 0 339.483 2.256 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000928656938 1206408343 /nfs/dbraw/zinc/40/83/43/1206408343.db2.gz GRHURHRKHZCEFW-IBGZPJMESA-N 2 0 339.483 2.112 10 30 EEEERP C=CC[C@]1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000852871962 1292223510 /nfs/dbraw/zinc/22/35/10/1292223510.db2.gz GDWKHJOPYBOVSB-LJQANCHMSA-N 2 0 328.460 2.075 10 30 EEEERP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001276838830 1299862675 /nfs/dbraw/zinc/86/26/75/1299862675.db2.gz BZSNDQGRBCBORC-GBESFXJTSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C[NH2+]CCC(=C)C)C2CC2)CC1 ZINC001277734556 1304292277 /nfs/dbraw/zinc/29/22/77/1304292277.db2.gz GCIQNHQJULQGNK-IBGZPJMESA-N 2 0 331.504 2.124 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001278200620 1306284659 /nfs/dbraw/zinc/28/46/59/1306284659.db2.gz PHWMKCFPVIDTMD-ZWKOTPCHSA-N 2 0 331.504 2.219 10 30 EEEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001278667681 1317608078 /nfs/dbraw/zinc/60/80/78/1317608078.db2.gz ICNLSFAUNGIVPR-HXUWFJFHSA-N 2 0 333.520 2.491 10 30 EEEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCOCC1 ZINC001278726609 1317882953 /nfs/dbraw/zinc/88/29/53/1317882953.db2.gz YUWBKZKNMOTPMX-ROUUACIJSA-N 2 0 349.519 2.225 10 30 EEEERP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001278747835 1317957595 /nfs/dbraw/zinc/95/75/95/1317957595.db2.gz TVUVVORIGPJNBQ-CQSZACIVSA-N 2 0 329.435 2.120 10 30 EEEERP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001278747834 1317957792 /nfs/dbraw/zinc/95/77/92/1317957792.db2.gz TVUVVORIGPJNBQ-AWEZNQCLSA-N 2 0 329.435 2.120 10 30 EEEERP C#CCC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[N@@H+](C)CCC ZINC001264586643 1322741045 /nfs/dbraw/zinc/74/10/45/1322741045.db2.gz SDKPWGLVTWZGJH-NZSAHSFTSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001265235976 1323003041 /nfs/dbraw/zinc/00/30/41/1323003041.db2.gz ZTTDTZWTDQHVPY-HKUYNNGSSA-N 2 0 331.504 2.267 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001265624641 1323276469 /nfs/dbraw/zinc/27/64/69/1323276469.db2.gz WILSGGYSDDQLPW-LJQANCHMSA-N 2 0 341.499 2.256 10 30 EEEERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001265852219 1323426074 /nfs/dbraw/zinc/42/60/74/1323426074.db2.gz XVFHXWCQOYTMMT-HOTGVXAUSA-N 2 0 347.890 2.128 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265930629 1323495350 /nfs/dbraw/zinc/49/53/50/1323495350.db2.gz FWKCHLDCPFTOOH-YJBOKZPZSA-N 2 0 325.472 2.356 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001266056319 1323606919 /nfs/dbraw/zinc/60/69/19/1323606919.db2.gz NRYVLUNIWQHTBP-IAGOWNOFSA-N 2 0 347.507 2.042 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001279288725 1323865009 /nfs/dbraw/zinc/86/50/09/1323865009.db2.gz MJDAOCUBKYRXRR-WGSAOQKQSA-N 2 0 333.520 2.398 10 30 EEEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001282337992 1325694960 /nfs/dbraw/zinc/69/49/60/1325694960.db2.gz SDLVEQJAZMYHDK-GOSISDBHSA-N 2 0 329.488 2.387 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317139557 1332095705 /nfs/dbraw/zinc/09/57/05/1332095705.db2.gz JXVOSNZSPUCFSD-QFBILLFUSA-N 2 0 337.483 2.050 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H](C)[NH2+]CC(C)C)CC2)CC1 ZINC001317684409 1332370888 /nfs/dbraw/zinc/37/08/88/1332370888.db2.gz RINUACIMCSQZDM-QGZVFWFLSA-N 2 0 333.520 2.204 10 30 EEEERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001318570707 1332562119 /nfs/dbraw/zinc/56/21/19/1332562119.db2.gz PUAHOZDHHHCNMF-LPHOPBHVSA-N 2 0 345.462 2.003 10 30 EEEERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC001318569648 1332562326 /nfs/dbraw/zinc/56/23/26/1332562326.db2.gz IKDAENSSHYQQKT-RBUKOAKNSA-N 2 0 329.488 2.109 10 30 EEEERP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001320586428 1332915886 /nfs/dbraw/zinc/91/58/86/1332915886.db2.gz BPHLITVOWIKANS-QGZVFWFLSA-N 2 0 342.487 2.275 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001324259986 1333644047 /nfs/dbraw/zinc/64/40/47/1333644047.db2.gz DHHRRYRBODXKBM-OALUTQOASA-N 2 0 327.472 2.283 10 30 EEEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001325703049 1333943728 /nfs/dbraw/zinc/94/37/28/1333943728.db2.gz VRBZXSFYTQWTOW-WOJBJXKFSA-N 2 0 339.483 2.255 10 30 EEEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001326490026 1334103352 /nfs/dbraw/zinc/10/33/52/1334103352.db2.gz MCRGUMQJPZSKHO-QGZVFWFLSA-N 2 0 327.472 2.463 10 30 EEEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)O2 ZINC001327359341 1334276096 /nfs/dbraw/zinc/27/60/96/1334276096.db2.gz NGULTGAGCWHWIQ-AEFFLSMTSA-N 2 0 349.519 2.175 10 30 EEEERP C=CCC[C@H](C)[NH+]1CC2(C1)CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)O2 ZINC001327359152 1334276268 /nfs/dbraw/zinc/27/62/68/1334276268.db2.gz LKKMRIUCHNYTKH-DLBZAZTESA-N 2 0 349.519 2.175 10 30 EEEERP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001329740499 1334705906 /nfs/dbraw/zinc/70/59/06/1334705906.db2.gz DFVWBNXTPWDHIH-RTBURBONSA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C[C@@H](F)CC)C(C)(C)C)CC1 ZINC001332898600 1335926958 /nfs/dbraw/zinc/92/69/58/1335926958.db2.gz KJAHHULMQGRSRO-DLBZAZTESA-N 2 0 339.499 2.200 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668214029 1355901024 /nfs/dbraw/zinc/90/10/24/1355901024.db2.gz HOKMSDPXIZKMHY-IRXDYDNUSA-N 2 0 345.462 2.003 10 30 EEEERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1)[NH+](C)C ZINC001566767592 1342627246 /nfs/dbraw/zinc/62/72/46/1342627246.db2.gz KWEHPSRAABSEHP-ZWKOTPCHSA-N 2 0 347.890 2.222 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1)C(C)C ZINC001675964492 1357078255 /nfs/dbraw/zinc/07/82/55/1357078255.db2.gz QBUMPRNEMIFAOU-ZWKOTPCHSA-N 2 0 336.524 2.421 10 30 EEEERP CC#CC[NH2+]CCC[C@@H](NC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001676145007 1357113965 /nfs/dbraw/zinc/11/39/65/1357113965.db2.gz RFIMUZHIJCHFEB-LJQANCHMSA-N 2 0 327.472 2.333 10 30 EEEERP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001677346202 1357317199 /nfs/dbraw/zinc/31/71/99/1357317199.db2.gz COFIULTTXLYHGG-IEBWSBKVSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C)cc2C)CC1 ZINC001662426486 1354796020 /nfs/dbraw/zinc/79/60/20/1354796020.db2.gz YBMUSSGUGCBMJR-GOSISDBHSA-N 2 0 341.499 2.243 10 30 EEEERP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001666370995 1355518713 /nfs/dbraw/zinc/51/87/13/1355518713.db2.gz PJUDHLJPTNCEEG-LJQANCHMSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001667181766 1355666120 /nfs/dbraw/zinc/66/61/20/1355666120.db2.gz AYWWFAMOXPIEPX-WMZOPIPTSA-N 2 0 333.520 2.489 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001667181764 1355666441 /nfs/dbraw/zinc/66/64/41/1355666441.db2.gz AYWWFAMOXPIEPX-FUHWJXTLSA-N 2 0 333.520 2.489 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001668092236 1355868153 /nfs/dbraw/zinc/86/81/53/1355868153.db2.gz LWVGFWYOINMTLE-KRWDZBQOSA-N 2 0 327.472 2.007 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]Cc2ccccc2)CC1 ZINC001668320445 1355923565 /nfs/dbraw/zinc/92/35/65/1355923565.db2.gz RFKVPPKFVWWQMA-QGZVFWFLSA-N 2 0 327.472 2.016 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668468453 1355946499 /nfs/dbraw/zinc/94/64/99/1355946499.db2.gz ANQBCTRZRMDFTD-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001669395367 1356155047 /nfs/dbraw/zinc/15/50/47/1356155047.db2.gz AJGVXCADTDVSEE-VQIMIIECSA-N 2 0 347.478 2.392 10 30 EEEERP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001675252790 1356951705 /nfs/dbraw/zinc/95/17/05/1356951705.db2.gz DXWHMQQJURMGAN-IAGOWNOFSA-N 2 0 325.472 2.050 10 30 EEEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001692121014 1404983044 /nfs/dbraw/zinc/98/30/44/1404983044.db2.gz MFAWJSWHEKMEGE-IAGOWNOFSA-N 2 0 325.472 2.050 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001699106928 1405261990 /nfs/dbraw/zinc/26/19/90/1405261990.db2.gz HQZVHBAXTRWORI-LPHOPBHVSA-N 2 0 342.487 2.417 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001699106930 1405262453 /nfs/dbraw/zinc/26/24/53/1405262453.db2.gz HQZVHBAXTRWORI-VQIMIIECSA-N 2 0 342.487 2.417 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC001699258787 1405300002 /nfs/dbraw/zinc/30/00/02/1405300002.db2.gz FJIJWHNMTAXETO-WWAPKCSDSA-N 2 0 340.471 2.051 10 30 EEEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001699688624 1405441766 /nfs/dbraw/zinc/44/17/66/1405441766.db2.gz GXENVRNCIWONJQ-UHFFFAOYSA-N 2 0 331.504 2.055 10 30 EEEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001699845005 1405524408 /nfs/dbraw/zinc/52/44/08/1405524408.db2.gz CUZYVJJBUPYBFQ-NRFANRHFSA-N 2 0 341.499 2.256 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442206108 1096491985 /nfs/dbraw/zinc/49/19/85/1096491985.db2.gz PFGORKNPOPOLNK-OALUTQOASA-N 2 0 342.487 2.415 10 30 EEEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001479835570 1099120427 /nfs/dbraw/zinc/12/04/27/1099120427.db2.gz XHIJRTXDRIZMOC-WMZOPIPTSA-N 2 0 337.508 2.033 10 30 EEEERP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001479979826 1099433280 /nfs/dbraw/zinc/43/32/80/1099433280.db2.gz AXZBYIWMGNTYMR-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](CC)CC ZINC001480222524 1099840839 /nfs/dbraw/zinc/84/08/39/1099840839.db2.gz KPFXAGCVCAGDPR-OTWHNJEPSA-N 2 0 342.487 2.415 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480286196 1099993321 /nfs/dbraw/zinc/99/33/21/1099993321.db2.gz NWASGINTRZKPCP-MJGOQNOKSA-N 2 0 331.504 2.245 10 30 EEEERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001496533317 1101133247 /nfs/dbraw/zinc/13/32/47/1101133247.db2.gz GDZOIXVEKIWFKE-ROUUACIJSA-N 2 0 346.450 2.022 10 30 EEEERP C#CC[NH+]1CCC(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001495521358 1101235344 /nfs/dbraw/zinc/23/53/44/1101235344.db2.gz DPODYUXZLNWBCI-UHFFFAOYSA-N 2 0 333.501 2.275 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)CCC[NH+](C)C ZINC001496145290 1102133329 /nfs/dbraw/zinc/13/33/29/1102133329.db2.gz PDPMCIAMIOLOGG-MRXNPFEDSA-N 2 0 349.906 2.470 10 30 EEEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494082372 1103492927 /nfs/dbraw/zinc/49/29/27/1103492927.db2.gz FDICQXBVKSLGPF-OALUTQOASA-N 2 0 333.520 2.348 10 30 EEEERP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001480663459 1106840808 /nfs/dbraw/zinc/84/08/08/1106840808.db2.gz HPKVZXBRMNRQGW-VQTJNVASSA-N 2 0 341.499 2.062 10 30 EEEERP C#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1CC ZINC001498894403 1108290904 /nfs/dbraw/zinc/29/09/04/1108290904.db2.gz RCEGJEUGZHPEDN-ROUUACIJSA-N 2 0 333.520 2.348 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001493569560 1108333266 /nfs/dbraw/zinc/33/32/66/1108333266.db2.gz KTEFIPSDSULIAE-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)CCCC[NH+](C)C ZINC001493767196 1108642740 /nfs/dbraw/zinc/64/27/40/1108642740.db2.gz LDFBUAOHEYZCRY-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C#CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001499480255 1112311388 /nfs/dbraw/zinc/31/13/88/1112311388.db2.gz FRSKCWFOKMMHCS-QZTJIDSGSA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[N@@H+](CCNC(=O)C1CC[NH+](CC#C)CC1)C1CCCCCC1 ZINC001499523137 1112339986 /nfs/dbraw/zinc/33/99/86/1112339986.db2.gz KOCFOWGBHWRLNE-UHFFFAOYSA-N 2 0 343.515 2.106 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CCCF)CC1 ZINC001500052129 1112594385 /nfs/dbraw/zinc/59/43/85/1112594385.db2.gz SJRDTGORCSINMT-MJGOQNOKSA-N 2 0 349.494 2.289 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCOCC1 ZINC001500573556 1112950133 /nfs/dbraw/zinc/95/01/33/1112950133.db2.gz FIKZNQKBAKOMQJ-QZTJIDSGSA-N 2 0 349.519 2.225 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CCCC=C)CC1 ZINC001505466209 1114001874 /nfs/dbraw/zinc/00/18/74/1114001874.db2.gz UOYPMHUIAZUGNB-LJQANCHMSA-N 2 0 331.504 2.221 10 30 EEEERP C=CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001506486207 1114643529 /nfs/dbraw/zinc/64/35/29/1114643529.db2.gz BJNLOZNEZVYWBR-SFHVURJKSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@H]12 ZINC001507346613 1115209699 /nfs/dbraw/zinc/20/96/99/1115209699.db2.gz UXKZDKOHSOLEHX-XYJFISCASA-N 2 0 325.472 2.356 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001507427836 1115263285 /nfs/dbraw/zinc/26/32/85/1115263285.db2.gz LSTYDAMPYNFUIS-GJZGRUSLSA-N 2 0 348.516 2.334 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC001508015908 1115388786 /nfs/dbraw/zinc/38/87/86/1115388786.db2.gz HWCYNJKIMYVZBO-KRWDZBQOSA-N 2 0 348.466 2.270 10 30 EEEERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001508065386 1115408835 /nfs/dbraw/zinc/40/88/35/1115408835.db2.gz XTMBALHTXZECBZ-MRXNPFEDSA-N 2 0 342.487 2.227 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+]([C@@H](C)CCC=C)CC2)CC1 ZINC001508229455 1115454998 /nfs/dbraw/zinc/45/49/98/1115454998.db2.gz KZRDHCCGADKBMA-SFHVURJKSA-N 2 0 343.515 2.435 10 30 EEEERP C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1F ZINC000358564924 465195601 /nfs/dbraw/zinc/19/56/01/465195601.db2.gz YHRURONZUWASIA-RDTXWAMCSA-N 2 0 346.450 2.291 10 30 EEEERP CCOC[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](COCC)C2)C1 ZINC000341883209 465272423 /nfs/dbraw/zinc/27/24/23/465272423.db2.gz MWVSKJQFHBEIJQ-WOJBJXKFSA-N 2 0 336.520 2.487 10 30 EEEERP CC(C)C[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)NCC[NH+](C)C ZINC000347253699 466513278 /nfs/dbraw/zinc/51/32/78/466513278.db2.gz RTTKHMGMXYSBMF-QAPCUYQASA-N 2 0 330.476 2.301 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659450354 471634111 /nfs/dbraw/zinc/63/41/11/471634111.db2.gz MRSSJJNXRSQRTG-QGZVFWFLSA-N 2 0 334.508 2.058 10 30 EEEERP C=CC[C@@]1(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCC[NH2+]1 ZINC000662797153 472256095 /nfs/dbraw/zinc/25/60/95/472256095.db2.gz WKBPROQUSXLPNA-FQEVSTJZSA-N 2 0 349.519 2.036 10 30 EEEERP CC[NH+]=C(NCCc1c(C)noc1C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000097013722 528806893 /nfs/dbraw/zinc/80/68/93/528806893.db2.gz QZPVGWPHLNGPDL-MRXNPFEDSA-N 2 0 347.507 2.406 10 30 EEEERP C[NH+]=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NC1CC1 ZINC000305741403 687095731 /nfs/dbraw/zinc/09/57/31/687095731.db2.gz ZTLZOSFHUSXSPP-UHFFFAOYSA-N 2 0 341.503 2.046 10 30 EEEERP C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CN(CC)CCO1 ZINC001266247174 1176018586 /nfs/dbraw/zinc/01/85/86/1176018586.db2.gz FDXWAQXGLWSRKC-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266469154 1176595048 /nfs/dbraw/zinc/59/50/48/1176595048.db2.gz GCJLDWOOYNMWAR-RBUKOAKNSA-N 2 0 333.520 2.445 10 30 EEEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001670523270 1176864328 /nfs/dbraw/zinc/86/43/28/1176864328.db2.gz VWLIBVUDSFWEAC-QYZOEREBSA-N 2 0 327.472 2.002 10 30 EEEERP C=CCC[NH+](CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001481186713 1180030553 /nfs/dbraw/zinc/03/05/53/1180030553.db2.gz VNOWCUSLYKZMKO-GOSISDBHSA-N 2 0 325.472 2.356 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@@H+](CCC(C)C)C2)CC1 ZINC001481462675 1181465455 /nfs/dbraw/zinc/46/54/55/1181465455.db2.gz VARFDKPOFZSZIC-GOSISDBHSA-N 2 0 333.520 2.206 10 30 EEEERP C=CCOCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001268171021 1181936960 /nfs/dbraw/zinc/93/69/60/1181936960.db2.gz KSNXRBNBINFNTP-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001268292224 1182184284 /nfs/dbraw/zinc/18/42/84/1182184284.db2.gz WKXZBHFQGXYNFI-PMACEKPBSA-N 2 0 341.499 2.254 10 30 EEEERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001268398807 1182480598 /nfs/dbraw/zinc/48/05/98/1182480598.db2.gz PLOGLFIHPCXJAP-MAUKXSAKSA-N 2 0 330.476 2.129 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001268414339 1182569511 /nfs/dbraw/zinc/56/95/11/1182569511.db2.gz SUTPWKRCQYZUEZ-LPHOPBHVSA-N 2 0 347.478 2.248 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@](C)(C[NH2+]Cc1ccc(C#N)c(F)c1)C1CC1 ZINC001481939849 1182996964 /nfs/dbraw/zinc/99/69/64/1182996964.db2.gz CRGWJESNSSAXRV-IBGZPJMESA-N 2 0 346.450 2.024 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481988988 1183094481 /nfs/dbraw/zinc/09/44/81/1183094481.db2.gz WLELPPFYKZKDIG-CVEARBPZSA-N 2 0 327.900 2.299 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001482109652 1183338947 /nfs/dbraw/zinc/33/89/47/1183338947.db2.gz HAEYDNXORZMZKJ-BEFAXECRSA-N 2 0 345.462 2.074 10 30 EEEERP N#Cc1ccc(C[NH2+]C/C=C/CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001268630757 1183553357 /nfs/dbraw/zinc/55/33/57/1183553357.db2.gz PLUZSMPVGUYPKY-NSCUHMNNSA-N 2 0 340.471 2.196 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001482367931 1185528058 /nfs/dbraw/zinc/52/80/58/1185528058.db2.gz CINWNEQIXYJSGS-ICSRJNTNSA-N 2 0 341.499 2.349 10 30 EEEERP CC(C)C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482397629 1185606979 /nfs/dbraw/zinc/60/69/79/1185606979.db2.gz BVSVYYINRALYLA-PMACEKPBSA-N 2 0 341.499 2.110 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@H](C[NH2+]CC(=C)C)CC2)CC1 ZINC001271789319 1186487197 /nfs/dbraw/zinc/48/71/97/1186487197.db2.gz AFGHBDJVJCKOFX-WGSAOQKQSA-N 2 0 345.531 2.420 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001409342218 1189547702 /nfs/dbraw/zinc/54/77/02/1189547702.db2.gz BHSHWJUGFRYNSH-OLZOCXBDSA-N 2 0 348.329 2.356 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001409342194 1189548063 /nfs/dbraw/zinc/54/80/63/1189548063.db2.gz BHSHWJUGFRYNSH-CHWSQXEVSA-N 2 0 348.329 2.356 10 30 EEEERP C#CCNC(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905710222 1189879459 /nfs/dbraw/zinc/87/94/59/1189879459.db2.gz VSDMDJUQBFOVRZ-HSALFYBXSA-N 2 0 339.483 2.016 10 30 EEEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001483587539 1190573878 /nfs/dbraw/zinc/57/38/78/1190573878.db2.gz HPEBZBCOUXEBKS-MAUKXSAKSA-N 2 0 325.472 2.259 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001485229754 1191699010 /nfs/dbraw/zinc/69/90/10/1191699010.db2.gz LHFIPXHSGDPCQS-CABCVRRESA-N 2 0 333.501 2.076 10 30 EEEERP C=CC[NH+]1CCC2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)CC1 ZINC001671055823 1194356789 /nfs/dbraw/zinc/35/67/89/1194356789.db2.gz YXJUNVNAYRHEJW-MRXNPFEDSA-N 2 0 325.472 2.167 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C(C)C ZINC000875087456 1199133130 /nfs/dbraw/zinc/13/31/30/1199133130.db2.gz MMLIEPPNKDPSCH-IPMKNSEASA-N 2 0 348.535 2.421 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000876757855 1199760269 /nfs/dbraw/zinc/76/02/69/1199760269.db2.gz IBHBNSVFYAWMGW-HNNXBMFYSA-N 2 0 325.840 2.426 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000876764077 1199763863 /nfs/dbraw/zinc/76/38/63/1199763863.db2.gz NRNSUDAELRFCEQ-OAHLLOKOSA-N 2 0 325.840 2.426 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC)([NH+]3CCCC3)CC2)CC1 ZINC000870269919 1200584270 /nfs/dbraw/zinc/58/42/70/1200584270.db2.gz YGMNXSLZIPLVRE-UHFFFAOYSA-N 2 0 331.504 2.199 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001275571646 1205422680 /nfs/dbraw/zinc/42/26/80/1205422680.db2.gz QJKQBRFAQMGQNT-IRXDYDNUSA-N 2 0 331.504 2.315 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000900566070 1234492759 /nfs/dbraw/zinc/49/27/59/1234492759.db2.gz LGRIDXYSFAGJTE-IBGZPJMESA-N 2 0 329.488 2.175 10 30 EEEERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(C#N)ccn1 ZINC000903048505 1239616488 /nfs/dbraw/zinc/61/64/88/1239616488.db2.gz NSXOVUNCIGOZAK-KXBFYZLASA-N 2 0 336.439 2.371 10 30 EEEERP C#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001273807740 1286203684 /nfs/dbraw/zinc/20/36/84/1286203684.db2.gz PWGSUCBSJMFBOE-HXUWFJFHSA-N 2 0 345.531 2.350 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001493146154 1290569900 /nfs/dbraw/zinc/56/99/00/1290569900.db2.gz CZEQYPMXSHWVLG-SJORKVTESA-N 2 0 337.508 2.033 10 30 EEEERP CC[C@@H](C(=O)NC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1)[NH+](C)C ZINC001490711398 1291597057 /nfs/dbraw/zinc/59/70/57/1291597057.db2.gz COCCNPAIAZWGFW-OALUTQOASA-N 2 0 345.462 2.002 10 30 EEEERP C=CCC[C@H](O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856590546 1293574260 /nfs/dbraw/zinc/57/42/60/1293574260.db2.gz WHSBTSLNYKSLJX-HKUYNNGSSA-N 2 0 333.476 2.314 10 30 EEEERP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001277299337 1302259717 /nfs/dbraw/zinc/25/97/17/1302259717.db2.gz QIHGMOWZKQTIFK-IAGOWNOFSA-N 2 0 342.487 2.275 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCC3CCC3)C[C@@H]2C)CC1 ZINC001278425084 1310208648 /nfs/dbraw/zinc/20/86/48/1310208648.db2.gz ZGZOUHSGFCYAMJ-FXAWDEMLSA-N 2 0 345.531 2.491 10 30 EEEERP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1(C)C ZINC001278685158 1317707861 /nfs/dbraw/zinc/70/78/61/1317707861.db2.gz SXPXJTLLPRSUKI-QZTJIDSGSA-N 2 0 327.472 2.139 10 30 EEEERP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001264102297 1322619811 /nfs/dbraw/zinc/61/98/11/1322619811.db2.gz PZDORWMUIDDNSF-MOPGFXCFSA-N 2 0 331.504 2.056 10 30 EEEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC001266219988 1323789475 /nfs/dbraw/zinc/78/94/75/1323789475.db2.gz MBNCYRCXZSVFKS-MRXNPFEDSA-N 2 0 333.501 2.417 10 30 EEEERP CN(CCC[N@H+](C)CC#Cc1ccccc1)C(=O)CCC[NH+](C)C ZINC001280849252 1324571505 /nfs/dbraw/zinc/57/15/05/1324571505.db2.gz AMKGNIWHGZFJKL-UHFFFAOYSA-N 2 0 329.488 2.160 10 30 EEEERP C#CCC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001283351212 1326024705 /nfs/dbraw/zinc/02/47/05/1326024705.db2.gz OAUSMICBHXIPCV-LJQANCHMSA-N 2 0 327.472 2.112 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001284095207 1326404451 /nfs/dbraw/zinc/40/44/51/1326404451.db2.gz DQRYCSPQQMLUGW-OKZBNKHCSA-N 2 0 333.520 2.204 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001284364644 1326521528 /nfs/dbraw/zinc/52/15/28/1326521528.db2.gz RMNCEQFYKDKCTE-ZIAGYGMSSA-N 2 0 347.425 2.273 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC[C@H](C)F)C(C)(C)C)CC1 ZINC001284653693 1326647818 /nfs/dbraw/zinc/64/78/18/1326647818.db2.gz VBSWSRAJTVSLSU-DOTOQJQBSA-N 2 0 339.499 2.200 10 30 EEEERP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001492164677 1331029385 /nfs/dbraw/zinc/02/93/85/1331029385.db2.gz DBOQXCWFGHSPFQ-QFBILLFUSA-N 2 0 337.483 2.193 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001318804588 1332601232 /nfs/dbraw/zinc/60/12/32/1332601232.db2.gz KLRDRKKDKIKQAM-SFHVURJKSA-N 2 0 331.504 2.104 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001322089424 1333207378 /nfs/dbraw/zinc/20/73/78/1333207378.db2.gz SEHJQSTXYUBDNG-HOTGVXAUSA-N 2 0 345.462 2.326 10 30 EEEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001323684711 1333515958 /nfs/dbraw/zinc/51/59/58/1333515958.db2.gz OOHYZGULAMXKHG-QYZOEREBSA-N 2 0 331.504 2.360 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001327148215 1334234878 /nfs/dbraw/zinc/23/48/78/1334234878.db2.gz RAUIFHKYFYATLT-HXUWFJFHSA-N 2 0 341.499 2.351 10 30 EEEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001330444402 1334845053 /nfs/dbraw/zinc/84/50/53/1334845053.db2.gz FGVZZPVLGHTLQP-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)CCCC[NH+](C)C ZINC001331930336 1335679996 /nfs/dbraw/zinc/67/99/96/1335679996.db2.gz WNKZVHPEGGIOEJ-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001332114076 1335733164 /nfs/dbraw/zinc/73/31/64/1335733164.db2.gz UQSRRTLSGANNTC-QUCCMNQESA-N 2 0 349.519 2.177 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001332458538 1335828579 /nfs/dbraw/zinc/82/85/79/1335828579.db2.gz HWSAISIGOAPRMZ-HIFRSBDPSA-N 2 0 347.425 2.273 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001479690455 1337362281 /nfs/dbraw/zinc/36/22/81/1337362281.db2.gz PIUHVPSMADPAAJ-OAHLLOKOSA-N 2 0 327.900 2.442 10 30 EEEERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001502754348 1342229500 /nfs/dbraw/zinc/22/95/00/1342229500.db2.gz PCRMLMULAHVLAE-AZUAARDMSA-N 2 0 341.499 2.207 10 30 EEEERP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001567746707 1342832713 /nfs/dbraw/zinc/83/27/13/1342832713.db2.gz LMHJSBQFJRVIFI-QGZVFWFLSA-N 2 0 327.488 2.413 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001569725549 1342934357 /nfs/dbraw/zinc/93/43/57/1342934357.db2.gz AXSAGADVDQBSHQ-FQEVSTJZSA-N 2 0 333.520 2.494 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC001571490535 1343218447 /nfs/dbraw/zinc/21/84/47/1343218447.db2.gz FSTGULUAMBKIEN-LPHOPBHVSA-N 2 0 345.462 2.098 10 30 EEEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@H]1C ZINC001676669934 1357178332 /nfs/dbraw/zinc/17/83/32/1357178332.db2.gz ZCUJZVCCIJIJMG-PKOBYXMFSA-N 2 0 329.488 2.316 10 30 EEEERP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001656628607 1354253817 /nfs/dbraw/zinc/25/38/17/1354253817.db2.gz WSYBACPUSPFJAA-RTBURBONSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]2C1 ZINC001656839889 1354283313 /nfs/dbraw/zinc/28/33/13/1354283313.db2.gz MOUNPIIDJXLTPB-MOPGFXCFSA-N 2 0 333.520 2.302 10 30 EEEERP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001662785187 1354846064 /nfs/dbraw/zinc/84/60/64/1354846064.db2.gz MLBINJPZHJXOOD-SJORKVTESA-N 2 0 337.508 2.080 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2CCCC)CC1 ZINC001663123818 1354923340 /nfs/dbraw/zinc/92/33/40/1354923340.db2.gz LCXNWYWOZKKYGM-IBGZPJMESA-N 2 0 333.520 2.493 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001663968813 1355063985 /nfs/dbraw/zinc/06/39/85/1355063985.db2.gz WMBVBNFAUVPFLE-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCC2CCCCC2)CC1 ZINC001664391693 1355153036 /nfs/dbraw/zinc/15/30/36/1355153036.db2.gz PREQDWBHDPPEAN-UHFFFAOYSA-N 2 0 333.520 2.350 10 30 EEEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001667107773 1355649443 /nfs/dbraw/zinc/64/94/43/1355649443.db2.gz HGGNAGXHVWNODM-LPHOPBHVSA-N 2 0 339.499 2.343 10 30 EEEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)Cc1cn2cccc(C)c2n1 ZINC001667111530 1355649946 /nfs/dbraw/zinc/64/99/46/1355649946.db2.gz BXPXCXLWOIZXLC-INIZCTEOSA-N 2 0 328.460 2.492 10 30 EEEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001671491988 1356349075 /nfs/dbraw/zinc/34/90/75/1356349075.db2.gz NJCXOBZTKMUNMU-RDJZCZTQSA-N 2 0 325.472 2.001 10 30 EEEERP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001672538840 1356550680 /nfs/dbraw/zinc/55/06/80/1356550680.db2.gz VDKKAVSIVULOFP-RBUKOAKNSA-N 2 0 349.519 2.129 10 30 EEEERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001674674434 1356873041 /nfs/dbraw/zinc/87/30/41/1356873041.db2.gz RUPDNFUHFDGAJH-HZPDHXFCSA-N 2 0 345.462 2.144 10 30 EEEERP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001698933405 1405172312 /nfs/dbraw/zinc/17/23/12/1405172312.db2.gz SKJYDVZNCQTLEC-UYAOXDASSA-N 2 0 341.499 2.011 10 30 EEEERP C=C(Br)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001699265693 1405307034 /nfs/dbraw/zinc/30/70/34/1405307034.db2.gz SGBBUAAPJGJBMB-ISZGNANSSA-N 2 0 344.297 2.031 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001699687633 1405440221 /nfs/dbraw/zinc/44/02/21/1405440221.db2.gz IFPNDNMFUGFARZ-VQTJNVASSA-N 2 0 343.515 2.340 10 30 EEEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001699983765 1405626876 /nfs/dbraw/zinc/62/68/76/1405626876.db2.gz DKBXMPPOYRIWEF-FQEVSTJZSA-N 2 0 341.499 2.358 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC)CC2(C)C)CC1 ZINC000941239628 780230652 /nfs/dbraw/zinc/23/06/52/780230652.db2.gz QUUYTNRCQSTIBI-SFHVURJKSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(C[NH+](C)C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC000911567337 787542802 /nfs/dbraw/zinc/54/28/02/787542802.db2.gz ASNPUHUQUJTTFX-RBUKOAKNSA-N 2 0 327.472 2.372 10 30 EEEERP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923389470 789485202 /nfs/dbraw/zinc/48/52/02/789485202.db2.gz REKXMEUZYIBLFH-OALUTQOASA-N 2 0 343.471 2.010 10 30 EEEERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001440841775 1094097277 /nfs/dbraw/zinc/09/72/77/1094097277.db2.gz PUZIXKDVVDFHIO-JKSUJKDBSA-N 2 0 342.487 2.273 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001441577092 1095368714 /nfs/dbraw/zinc/36/87/14/1095368714.db2.gz UUEHBTCJHZBWKP-IBGZPJMESA-N 2 0 342.487 2.227 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001441849715 1095936077 /nfs/dbraw/zinc/93/60/77/1095936077.db2.gz MYJXOQCTMDKFQK-QAPCUYQASA-N 2 0 328.460 2.025 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442206100 1096491703 /nfs/dbraw/zinc/49/17/03/1096491703.db2.gz PFGORKNPOPOLNK-MOPGFXCFSA-N 2 0 342.487 2.415 10 30 EEEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001479695978 1098765522 /nfs/dbraw/zinc/76/55/22/1098765522.db2.gz QZHRGTIGWWMNQW-RTBURBONSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[N@H+](C)CC=C(C)C)C2)CC1 ZINC001480087543 1099645327 /nfs/dbraw/zinc/64/53/27/1099645327.db2.gz NLVGFBWLBKEJSB-LJQANCHMSA-N 2 0 345.531 2.468 10 30 EEEERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001480158200 1099731306 /nfs/dbraw/zinc/73/13/06/1099731306.db2.gz KVRXRUJLEZVTCJ-BZSNNMDCSA-N 2 0 347.890 2.269 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001495394294 1101114903 /nfs/dbraw/zinc/11/49/03/1101114903.db2.gz WVNXIPOOMQQLJY-RBUKOAKNSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001496861410 1101627136 /nfs/dbraw/zinc/62/71/36/1101627136.db2.gz STBDIHOCRWHRGP-MJGOQNOKSA-N 2 0 331.504 2.197 10 30 EEEERP CC1CC[NH+](CC(=O)NC/C=C/C[NH2+]CC#Cc2ccccc2)CC1 ZINC001497716508 1102958423 /nfs/dbraw/zinc/95/84/23/1102958423.db2.gz ZBSFNMNHAOBDEF-AATRIKPKSA-N 2 0 339.483 2.032 10 30 EEEERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001447908306 1103570700 /nfs/dbraw/zinc/57/07/00/1103570700.db2.gz SVAUNNLBCZJACL-ZIAGYGMSSA-N 2 0 334.439 2.022 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480708531 1106928076 /nfs/dbraw/zinc/92/80/76/1106928076.db2.gz GXVOIUOMNUEYTJ-LSDHHAIUSA-N 2 0 348.516 2.477 10 30 EEEERP C#CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1CC[NH+](CC(C)C)CC1 ZINC001500039400 1112588814 /nfs/dbraw/zinc/58/88/14/1112588814.db2.gz PBLMUSHDRFTBAW-GOSISDBHSA-N 2 0 339.499 2.249 10 30 EEEERP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001500054356 1112595208 /nfs/dbraw/zinc/59/52/08/1112595208.db2.gz NGIMRIUJLVZZMP-IRXDYDNUSA-N 2 0 337.483 2.003 10 30 EEEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001500523124 1112915801 /nfs/dbraw/zinc/91/58/01/1112915801.db2.gz RCOOCLWILFOWBH-RTBURBONSA-N 2 0 337.483 2.050 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001501181408 1113231216 /nfs/dbraw/zinc/23/12/16/1113231216.db2.gz MGKDGCPNRHRQPT-IYARVYRRSA-N 2 0 331.504 2.008 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CCc1ccccc1 ZINC001505447102 1113982094 /nfs/dbraw/zinc/98/20/94/1113982094.db2.gz ZHTQUOOISPYHOE-FQEVSTJZSA-N 2 0 341.499 2.107 10 30 EEEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001508137464 1115425453 /nfs/dbraw/zinc/42/54/53/1115425453.db2.gz UITPJUBQMRXESF-JMLCCBQJSA-N 2 0 325.472 2.354 10 30 EEEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001568088774 1124292749 /nfs/dbraw/zinc/29/27/49/1124292749.db2.gz CDDVGPDOZOKNJP-MRXNPFEDSA-N 2 0 327.900 2.442 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568645594 1124658600 /nfs/dbraw/zinc/65/86/00/1124658600.db2.gz IVEYABCEDLZOPA-KBXCAEBGSA-N 2 0 346.450 2.166 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001568800147 1124814454 /nfs/dbraw/zinc/81/44/54/1124814454.db2.gz BGPQSJRRCMTYIL-YZGWKJHDSA-N 2 0 345.531 2.206 10 30 EEEERP CC[C@H](O)[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872650 465271622 /nfs/dbraw/zinc/27/16/22/465271622.db2.gz GIVPJINMCYAWSV-YRPNKDGESA-N 2 0 336.520 2.241 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000246564412 464600485 /nfs/dbraw/zinc/60/04/85/464600485.db2.gz YFFYZKGRPRTADA-WMZOPIPTSA-N 2 0 336.524 2.399 10 30 EEEERP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1 ZINC000600719870 468633919 /nfs/dbraw/zinc/63/39/19/468633919.db2.gz LEWNVWRKFLDIOJ-LJQANCHMSA-N 2 0 345.487 2.299 10 30 EEEERP C#CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001485779280 1191948416 /nfs/dbraw/zinc/94/84/16/1191948416.db2.gz YXJZGFWCMOGZFA-BHIYHBOVSA-N 2 0 327.472 2.187 10 30 EEEERP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC001266388785 1176462164 /nfs/dbraw/zinc/46/21/64/1176462164.db2.gz RBPQZFDTFPQIIL-KRWDZBQOSA-N 2 0 342.487 2.172 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CCC(C)C)C1 ZINC001266460421 1176578299 /nfs/dbraw/zinc/57/82/99/1176578299.db2.gz ZWQYIHSYHLSUTA-OALUTQOASA-N 2 0 333.520 2.301 10 30 EEEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001691251355 1177772401 /nfs/dbraw/zinc/77/24/01/1177772401.db2.gz VBPONUHZKFSLFJ-HDMKZQKVSA-N 2 0 325.472 2.259 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001266993722 1178051666 /nfs/dbraw/zinc/05/16/66/1178051666.db2.gz DMMWWTPBERTECA-MRXNPFEDSA-N 2 0 345.462 2.096 10 30 EEEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001267184739 1178449163 /nfs/dbraw/zinc/44/91/63/1178449163.db2.gz FAAZKROBPPODPY-MJGOQNOKSA-N 2 0 345.531 2.491 10 30 EEEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001267189950 1178461504 /nfs/dbraw/zinc/46/15/04/1178461504.db2.gz BBSVKMCNEMGMSJ-INIZCTEOSA-N 2 0 333.520 2.489 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001267356272 1178817515 /nfs/dbraw/zinc/81/75/15/1178817515.db2.gz CHXZPACWYKKYMB-RTBURBONSA-N 2 0 327.472 2.330 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C(F)(F)F ZINC001691446358 1178830796 /nfs/dbraw/zinc/83/07/96/1178830796.db2.gz VINNCPUNKQFMQK-UONOGXRCSA-N 2 0 347.425 2.131 10 30 EEEERP C=CCCC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001267376176 1178912401 /nfs/dbraw/zinc/91/24/01/1178912401.db2.gz AQRLUYIVNPWTGU-SFHVURJKSA-N 2 0 327.472 2.496 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001267473887 1179106067 /nfs/dbraw/zinc/10/60/67/1179106067.db2.gz OWCCKBTUKGLIAX-IAGOWNOFSA-N 2 0 345.462 2.098 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001267549369 1179335272 /nfs/dbraw/zinc/33/52/72/1179335272.db2.gz DGHUUDCZPHLMQZ-HXUWFJFHSA-N 2 0 345.531 2.445 10 30 EEEERP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001481151569 1179929856 /nfs/dbraw/zinc/92/98/56/1179929856.db2.gz KUBNVPWDAMUDGG-FQEVSTJZSA-N 2 0 341.499 2.208 10 30 EEEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001267916042 1180758542 /nfs/dbraw/zinc/75/85/42/1180758542.db2.gz NTYPVNGLQGJFDG-IBGZPJMESA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH2+]CC(C)C)cc2)CC1 ZINC001267941325 1180797157 /nfs/dbraw/zinc/79/71/57/1180797157.db2.gz VEYGASHVUCIGRA-UHFFFAOYSA-N 2 0 341.499 2.394 10 30 EEEERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001268001214 1180953195 /nfs/dbraw/zinc/95/31/95/1180953195.db2.gz XXZPRZKLYGXUSZ-APWZRJJASA-N 2 0 345.462 2.003 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001268181320 1181965388 /nfs/dbraw/zinc/96/53/88/1181965388.db2.gz WLMJJIXZFOUGJM-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482109677 1183339866 /nfs/dbraw/zinc/33/98/66/1183339866.db2.gz HIASCWMBTBIYMQ-JSGCOSHPSA-N 2 0 346.313 2.111 10 30 EEEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001284738122 1184753285 /nfs/dbraw/zinc/75/32/85/1184753285.db2.gz SPRYUTNQQQZFSJ-UONOGXRCSA-N 2 0 335.414 2.272 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CC2=CCCCC2)CC1 ZINC001270605217 1185199955 /nfs/dbraw/zinc/19/99/55/1185199955.db2.gz XABPIPOEINOWBR-QGZVFWFLSA-N 2 0 331.504 2.174 10 30 EEEERP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001270650828 1185266966 /nfs/dbraw/zinc/26/69/66/1185266966.db2.gz NIDVJJORINMRQZ-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001272773077 1193490913 /nfs/dbraw/zinc/49/09/13/1193490913.db2.gz JDSXZFMVANDVNC-KGLIPLIRSA-N 2 0 346.313 2.252 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001272821843 1193561416 /nfs/dbraw/zinc/56/14/16/1193561416.db2.gz CPFBYONICLBBOB-APWZRJJASA-N 2 0 342.487 2.417 10 30 EEEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001483081287 1188442788 /nfs/dbraw/zinc/44/27/88/1188442788.db2.gz XRRIBAPTDDFBLR-IHWYPQMZSA-N 2 0 325.884 2.123 10 30 EEEERP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001671055083 1193610198 /nfs/dbraw/zinc/61/01/98/1193610198.db2.gz JUIFWQCLMMPAGW-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)[C@H]1C ZINC001486093824 1193679480 /nfs/dbraw/zinc/67/94/80/1193679480.db2.gz QESRHMOVJGUHGM-KDOFPFPSSA-N 2 0 346.450 2.118 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001484727363 1191486813 /nfs/dbraw/zinc/48/68/13/1191486813.db2.gz BVHLEGMARXZEKY-RBUKOAKNSA-N 2 0 333.520 2.491 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001486252690 1193780017 /nfs/dbraw/zinc/78/00/17/1193780017.db2.gz HKJUTGPHVKIWAO-KBPBESRZSA-N 2 0 347.425 2.273 10 30 EEEERP C=CCCC[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCC1 ZINC001273122138 1194404330 /nfs/dbraw/zinc/40/43/30/1194404330.db2.gz NCXSWJCGMRBBJY-UHFFFAOYSA-N 2 0 339.443 2.476 10 30 EEEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001691682286 1197488147 /nfs/dbraw/zinc/48/81/47/1197488147.db2.gz HNCGFWFDXVGFMD-HKUYNNGSSA-N 2 0 333.520 2.489 10 30 EEEERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001410213514 1197606790 /nfs/dbraw/zinc/60/67/90/1197606790.db2.gz FHCRDRRAUORYFJ-GUDVDZBRSA-N 2 0 342.487 2.129 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCO1 ZINC001273308544 1198014543 /nfs/dbraw/zinc/01/45/43/1198014543.db2.gz LTCNKIFTCCRANX-OALUTQOASA-N 2 0 349.519 2.177 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000876734359 1199746785 /nfs/dbraw/zinc/74/67/85/1199746785.db2.gz CZRZSZPHAJZJNR-DLBZAZTESA-N 2 0 335.879 2.485 10 30 EEEERP C#CC[NH2+][C@@H](CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001276147638 1205797938 /nfs/dbraw/zinc/79/79/38/1205797938.db2.gz RXYUMSKFVOKHFM-IBGZPJMESA-N 2 0 329.488 2.458 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000900957866 1235045232 /nfs/dbraw/zinc/04/52/32/1235045232.db2.gz JPTKZSKLMRWBES-UHFFFAOYSA-N 2 0 331.460 2.090 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001491265152 1258865205 /nfs/dbraw/zinc/86/52/05/1258865205.db2.gz WVVMUAJTNLQZRZ-HXUWFJFHSA-N 2 0 341.499 2.398 10 30 EEEERP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001278177256 1306181613 /nfs/dbraw/zinc/18/16/13/1306181613.db2.gz LLVFEOXWHATZCJ-MRXNPFEDSA-N 2 0 325.472 2.003 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCC(C)(C)C)C[C@@H]2C)CC1 ZINC001278422141 1310196364 /nfs/dbraw/zinc/19/63/64/1310196364.db2.gz ANZKOEFBGGZIIR-FUHWJXTLSA-N 2 0 333.520 2.347 10 30 EEEERP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001264644228 1322765019 /nfs/dbraw/zinc/76/50/19/1322765019.db2.gz RAYNJXBXOSKACV-QYZOEREBSA-N 2 0 331.504 2.075 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001265368673 1323101832 /nfs/dbraw/zinc/10/18/32/1323101832.db2.gz VXTMPYQHGBQKFZ-MOPGFXCFSA-N 2 0 331.504 2.291 10 30 EEEERP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001279410335 1323899995 /nfs/dbraw/zinc/89/99/95/1323899995.db2.gz WVHAUGJVSUHJRX-GBESFXJTSA-N 2 0 333.520 2.465 10 30 EEEERP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001282680900 1325764175 /nfs/dbraw/zinc/76/41/75/1325764175.db2.gz DCUKTRPYXSYTNW-MOPGFXCFSA-N 2 0 333.520 2.491 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001316667495 1330181337 /nfs/dbraw/zinc/18/13/37/1330181337.db2.gz WOOVHFOHHJTQCS-VQTJNVASSA-N 2 0 341.499 2.253 10 30 EEEERP CC#CC[NH2+]CCc1ccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001491903850 1330297930 /nfs/dbraw/zinc/29/79/30/1330297930.db2.gz GXAMIYKCSVNWAJ-HDICACEKSA-N 2 0 341.499 2.331 10 30 EEEERP C#CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001316686888 1331331567 /nfs/dbraw/zinc/33/15/67/1331331567.db2.gz SEAFRLFOEXFBSR-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001317111707 1332084002 /nfs/dbraw/zinc/08/40/02/1332084002.db2.gz MXWGWOFWYMOUGI-HSALFYBXSA-N 2 0 339.483 2.149 10 30 EEEERP C=CC[N@@H+](C)CC1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001317876890 1332439602 /nfs/dbraw/zinc/43/96/02/1332439602.db2.gz PYUXLDNCDJQVRW-UHFFFAOYSA-N 2 0 339.443 2.237 10 30 EEEERP C#CCC[NH2+]C[C@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@@H]1C ZINC001318758086 1332589828 /nfs/dbraw/zinc/58/98/28/1332589828.db2.gz KTEZYKXFKOUYEI-AZUAARDMSA-N 2 0 333.520 2.396 10 30 EEEERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001320612569 1332920563 /nfs/dbraw/zinc/92/05/63/1332920563.db2.gz BVJYFKRHQZBPCQ-XJKSGUPXSA-N 2 0 336.505 2.190 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001322352478 1333252073 /nfs/dbraw/zinc/25/20/73/1333252073.db2.gz ASOYNPVCDRTIKA-WOJBJXKFSA-N 2 0 341.499 2.254 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]CC=C(Cl)Cl)CC1 ZINC001322844967 1333339999 /nfs/dbraw/zinc/33/99/99/1333339999.db2.gz UYSCEISVWKCVHR-UHFFFAOYSA-N 2 0 346.302 2.089 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001324397150 1333673970 /nfs/dbraw/zinc/67/39/70/1333673970.db2.gz LYJWZMWBUHJFMF-SOLBZPMBSA-N 2 0 337.483 2.001 10 30 EEEERP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001324629840 1333726815 /nfs/dbraw/zinc/72/68/15/1333726815.db2.gz TUGCRKZDEBUILC-LJQANCHMSA-N 2 0 342.443 2.040 10 30 EEEERP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001325541675 1333907286 /nfs/dbraw/zinc/90/72/86/1333907286.db2.gz DGBVWCLOOVNXMW-MSOLQXFVSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001326312117 1334065701 /nfs/dbraw/zinc/06/57/01/1334065701.db2.gz GTCCDXWPKHOWGR-INIZCTEOSA-N 2 0 339.443 2.285 10 30 EEEERP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001328412577 1334455878 /nfs/dbraw/zinc/45/58/78/1334455878.db2.gz FOQJWXORJYMXOO-UHOSZYNNSA-N 2 0 329.488 2.392 10 30 EEEERP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001329490038 1334662111 /nfs/dbraw/zinc/66/21/11/1334662111.db2.gz ZDPKRJQYGMQOPN-HNNXBMFYSA-N 2 0 327.432 2.284 10 30 EEEERP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@]2(C)C1 ZINC001330527507 1334864734 /nfs/dbraw/zinc/86/47/34/1334864734.db2.gz AEVQWMHKFVGGRF-NXHRZFHOSA-N 2 0 325.472 2.023 10 30 EEEERP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001331468327 1335019029 /nfs/dbraw/zinc/01/90/29/1335019029.db2.gz AXJDDLBXYNSDLO-MRXNPFEDSA-N 2 0 345.462 2.098 10 30 EEEERP C=CCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C(F)(F)F ZINC001333022923 1335949789 /nfs/dbraw/zinc/94/97/89/1335949789.db2.gz XDKZWCFLHGXQSE-CABCVRRESA-N 2 0 347.425 2.273 10 30 EEEERP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001342917825 1337323755 /nfs/dbraw/zinc/32/37/55/1337323755.db2.gz CIODGHUXKPRBET-DLBZAZTESA-N 2 0 346.523 2.194 10 30 EEEERP C=C(C)CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001502532432 1342203639 /nfs/dbraw/zinc/20/36/39/1342203639.db2.gz QKPZDAZQFRKRBF-IBGZPJMESA-N 2 0 329.488 2.447 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C/C=C\Cl)C2CC2)CC1 ZINC001566604363 1342576720 /nfs/dbraw/zinc/57/67/20/1342576720.db2.gz WXNTVUPCEYNYPQ-OQFOIZHKSA-N 2 0 337.895 2.055 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001566967923 1342668943 /nfs/dbraw/zinc/66/89/43/1342668943.db2.gz YUMBSTWVTZORIH-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCOCC[NH2+]C1(CC)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001570257312 1343043439 /nfs/dbraw/zinc/04/34/39/1343043439.db2.gz BJOFLWLYAAAVDK-UHFFFAOYSA-N 2 0 349.519 2.178 10 30 EEEERP C=CCC[NH2+]Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)c(F)c1 ZINC001677644836 1357382459 /nfs/dbraw/zinc/38/24/59/1357382459.db2.gz MVRGRGFERALVRV-OAHLLOKOSA-N 2 0 333.451 2.449 10 30 EEEERP C[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1ccc(C#N)s1 ZINC001660321939 1354439459 /nfs/dbraw/zinc/43/94/59/1354439459.db2.gz NEPVSTMTVWISHF-UHFFFAOYSA-N 2 0 348.516 2.290 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661752504 1354690026 /nfs/dbraw/zinc/69/00/26/1354690026.db2.gz KREUQOJJVRXSPJ-MOPGFXCFSA-N 2 0 333.520 2.348 10 30 EEEERP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001663684217 1355016499 /nfs/dbraw/zinc/01/64/99/1355016499.db2.gz SNHFOTGITPMTBE-IBGZPJMESA-N 2 0 341.499 2.208 10 30 EEEERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001665793174 1355389958 /nfs/dbraw/zinc/38/99/58/1355389958.db2.gz NOLQRHUXGOYTLP-AYOQOUSVSA-N 2 0 345.462 2.002 10 30 EEEERP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2 ZINC001666500865 1355534926 /nfs/dbraw/zinc/53/49/26/1355534926.db2.gz DDJHTIRQDPCVFC-UHFFFAOYSA-N 2 0 333.520 2.302 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCC2CCCC2)CC1 ZINC001667059085 1355641238 /nfs/dbraw/zinc/64/12/38/1355641238.db2.gz MSKRODKXFCNKBL-KRWDZBQOSA-N 2 0 333.520 2.348 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccccc1Cl)NC(=O)CC[NH+](C)C ZINC001668197544 1355897203 /nfs/dbraw/zinc/89/72/03/1355897203.db2.gz QHCZKDXDNIFQFN-OAHLLOKOSA-N 2 0 335.879 2.128 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001668468880 1355946633 /nfs/dbraw/zinc/94/66/33/1355946633.db2.gz IUYLIRHUHOUVSV-LJQANCHMSA-N 2 0 345.462 2.100 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001669482105 1356164526 /nfs/dbraw/zinc/16/45/26/1356164526.db2.gz FFLSGRNXABCPPZ-QZTJIDSGSA-N 2 0 341.499 2.496 10 30 EEEERP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)O2 ZINC001687937698 1358684666 /nfs/dbraw/zinc/68/46/66/1358684666.db2.gz GBVSYRLSGAARAA-ZWKOTPCHSA-N 2 0 349.519 2.175 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698862226 1405117898 /nfs/dbraw/zinc/11/78/98/1405117898.db2.gz WSCGHCQUUJFCHX-IBGZPJMESA-N 2 0 341.499 2.351 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940852904 779437152 /nfs/dbraw/zinc/43/71/52/779437152.db2.gz HNNAWNCFTCDJBF-SFHVURJKSA-N 2 0 338.455 2.496 10 30 EEEERP C#CC[NH+]1CC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026716 779736405 /nfs/dbraw/zinc/73/64/05/779736405.db2.gz MRUFFNPVGBSOMI-BEFAXECRSA-N 2 0 337.483 2.049 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941074693 779792824 /nfs/dbraw/zinc/79/28/24/779792824.db2.gz FFLYLHJIQJPQGE-ZWKOTPCHSA-N 2 0 333.520 2.489 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001437338246 1089531454 /nfs/dbraw/zinc/53/14/54/1089531454.db2.gz WBLCVXITORFWAX-QZTJIDSGSA-N 2 0 328.460 2.027 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C#N)cc1 ZINC001445875733 1091803258 /nfs/dbraw/zinc/80/32/58/1091803258.db2.gz FPSHQGOJFKPVMH-VQIMIIECSA-N 2 0 342.487 2.369 10 30 EEEERP C=C(Cl)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001441341547 1094838252 /nfs/dbraw/zinc/83/82/52/1094838252.db2.gz PTWDPCLZRYWBKA-ARFHVFGLSA-N 2 0 327.900 2.297 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001441862112 1095967131 /nfs/dbraw/zinc/96/71/31/1095967131.db2.gz FJHDGRIXINTBFC-BZUAXINKSA-N 2 0 339.911 2.297 10 30 EEEERP CC#CC[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001479843635 1099134859 /nfs/dbraw/zinc/13/48/59/1099134859.db2.gz HOLWPISMGDMFFG-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@H+](C)CC=C(C)C)C2)CC1 ZINC001480087542 1099645728 /nfs/dbraw/zinc/64/57/28/1099645728.db2.gz NLVGFBWLBKEJSB-IBGZPJMESA-N 2 0 345.531 2.468 10 30 EEEERP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+]CC#Cc3ccccc3)C2)CC1 ZINC001480161202 1099734241 /nfs/dbraw/zinc/73/42/41/1099734241.db2.gz CAQOKTIFYNQQQE-MXVIHJGJSA-N 2 0 339.483 2.007 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC001496325535 1100920214 /nfs/dbraw/zinc/92/02/14/1100920214.db2.gz STKPAJUFLVRXMN-IBGZPJMESA-N 2 0 333.520 2.396 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001447563636 1102868879 /nfs/dbraw/zinc/86/88/79/1102868879.db2.gz HYOPZTPSFZXOFJ-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1F ZINC001447684585 1103113423 /nfs/dbraw/zinc/11/34/23/1103113423.db2.gz YMQQIZWGYWQPNY-GOEBONIOSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001480597512 1106736287 /nfs/dbraw/zinc/73/62/87/1106736287.db2.gz QJLBTVPDKQQAQF-CVEARBPZSA-N 2 0 345.462 2.326 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CCCCC2)C2CC2)CC1 ZINC001498874423 1108258728 /nfs/dbraw/zinc/25/87/28/1108258728.db2.gz KTVBEYLBLJGNFN-FQEVSTJZSA-N 2 0 345.531 2.396 10 30 EEEERP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001500616607 1112978742 /nfs/dbraw/zinc/97/87/42/1112978742.db2.gz GJBNETQBXONONX-HZPDHXFCSA-N 2 0 343.462 2.368 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1F ZINC001502342464 1113636665 /nfs/dbraw/zinc/63/66/65/1113636665.db2.gz WRYAOZRHHXHGHY-IBGZPJMESA-N 2 0 345.462 2.204 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC/C=C\CC)C[C@@H]2C)CC1 ZINC001507338249 1115201221 /nfs/dbraw/zinc/20/12/21/1115201221.db2.gz IOCHACIUVJLHSR-LOYZYROESA-N 2 0 331.504 2.267 10 30 EEEERP CC#CC[NH2+][C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1ccccc1 ZINC001507390217 1115246916 /nfs/dbraw/zinc/24/69/16/1115246916.db2.gz SWDKLEIYFKBVCV-ICSRJNTNSA-N 2 0 341.499 2.059 10 30 EEEERP C=C(Br)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC1(C)C ZINC001507451395 1115277334 /nfs/dbraw/zinc/27/73/34/1115277334.db2.gz QPAKQVQADXPPCD-CYBMUJFWSA-N 2 0 346.313 2.063 10 30 EEEERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001568963982 1124999833 /nfs/dbraw/zinc/99/98/33/1124999833.db2.gz MBOOBUGUEADNSL-OWOJBTEDSA-N 2 0 345.874 2.049 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2c(C)cccc2C)CC1 ZINC001569099274 1125097100 /nfs/dbraw/zinc/09/71/00/1125097100.db2.gz XLGWZPXXEXHNIT-SFHVURJKSA-N 2 0 341.499 2.243 10 30 EEEERP C=CC[C@@H](CO)C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000341272323 465086008 /nfs/dbraw/zinc/08/60/08/465086008.db2.gz NVEKUQMUWSGINN-GOSISDBHSA-N 2 0 331.504 2.493 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CCC(C[NH+](CC)CC)CC2)CC1 ZINC000358818060 465340644 /nfs/dbraw/zinc/34/06/44/465340644.db2.gz NZOVSDOZJMBESH-UHFFFAOYSA-N 2 0 336.524 2.400 10 30 EEEERP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516113 464064660 /nfs/dbraw/zinc/06/46/60/464064660.db2.gz FBDNKNLOADHJAF-KRWDZBQOSA-N 2 0 328.460 2.324 10 30 EEEERP C[NH+](C)[C@@H](CNC(=O)CN1CCC(C)(C#N)CC1)c1ccccc1 ZINC000274689755 464752628 /nfs/dbraw/zinc/75/26/28/464752628.db2.gz ZULRVNYRNFSMKG-KRWDZBQOSA-N 2 0 328.460 2.031 10 30 EEEERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C(=O)NCC[NH+](C)C ZINC000347163415 466442721 /nfs/dbraw/zinc/44/27/21/466442721.db2.gz JAJTWBBIWAGLOW-KSSFIOAISA-N 2 0 348.466 2.440 10 30 EEEERP C=CC[C@]1(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662748419 472234347 /nfs/dbraw/zinc/23/43/47/472234347.db2.gz TVORXXXJYANYRX-ILZDJORESA-N 2 0 327.472 2.464 10 30 EEEERP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599266042 485621764 /nfs/dbraw/zinc/62/17/64/485621764.db2.gz LWBNUENKTVUQMI-SFHVURJKSA-N 2 0 337.508 2.112 10 30 EEEERP C[NH+]=C(NCCc1sc(C)nc1C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000086911631 526366279 /nfs/dbraw/zinc/36/62/79/526366279.db2.gz WGIDSXXJFQMEKY-MQVJKMGUSA-N 2 0 349.548 2.483 10 30 EEEERP C#CCN(C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914357203 683530705 /nfs/dbraw/zinc/53/07/05/683530705.db2.gz CAVOXIZUIGDPPR-OKZBNKHCSA-N 2 0 348.535 2.092 10 30 EEEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001272700465 1191863481 /nfs/dbraw/zinc/86/34/81/1191863481.db2.gz JQBZQPUSQRTKKZ-IRXDYDNUSA-N 2 0 327.472 2.319 10 30 EEEERP C[NH+](C)C1(C(=O)NC[C@@H]([NH2+]CC#Cc2ccccc2)C2CC2)CCC1 ZINC001266412030 1176501752 /nfs/dbraw/zinc/50/17/52/1176501752.db2.gz KWFFRQMIEFMWPE-LJQANCHMSA-N 2 0 339.483 2.007 10 30 EEEERP C=C(C)C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266611275 1176976168 /nfs/dbraw/zinc/97/61/68/1176976168.db2.gz CLSYUKAOJUIXJL-UXHICEINSA-N 2 0 341.499 2.489 10 30 EEEERP CCN(CC#Cc1ccccc1Cl)CCNC(=O)CCC[NH+](C)C ZINC001267249175 1178612110 /nfs/dbraw/zinc/61/21/10/1178612110.db2.gz OZPDRWBHVMPTDY-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)Cc1[nH]cnc1C ZINC001267319309 1178749112 /nfs/dbraw/zinc/74/91/12/1178749112.db2.gz GAIGFDVLJOBEGL-UHFFFAOYSA-N 2 0 338.455 2.141 10 30 EEEERP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001267476358 1179112995 /nfs/dbraw/zinc/11/29/95/1179112995.db2.gz ZZGAERNBTUNIFF-RBUKOAKNSA-N 2 0 333.520 2.445 10 30 EEEERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001481067056 1179673921 /nfs/dbraw/zinc/67/39/21/1179673921.db2.gz ZVJKWYHAAGQWLI-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267828317 1180595450 /nfs/dbraw/zinc/59/54/50/1180595450.db2.gz VNAJRAXCKPTUSR-MSOLQXFVSA-N 2 0 333.451 2.002 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001481319790 1181025114 /nfs/dbraw/zinc/02/51/14/1181025114.db2.gz NZALZZNWGZNMRG-INIZCTEOSA-N 2 0 345.462 2.280 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001481493346 1181558833 /nfs/dbraw/zinc/55/88/33/1181558833.db2.gz WZDLAIJIZXVRQG-SFHVURJKSA-N 2 0 333.520 2.445 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC001481817091 1182734047 /nfs/dbraw/zinc/73/40/47/1182734047.db2.gz SMIQXCZGIVTQRQ-RTBURBONSA-N 2 0 342.487 2.417 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001481977278 1183065738 /nfs/dbraw/zinc/06/57/38/1183065738.db2.gz SJPQSPPQLDMEGK-OAHLLOKOSA-N 2 0 327.900 2.442 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC001482055992 1183256433 /nfs/dbraw/zinc/25/64/33/1183256433.db2.gz SDEQPUCRTQNOMK-QAPCUYQASA-N 2 0 345.491 2.337 10 30 EEEERP CCC[N@H+](C)CC(=O)NC/C=C\C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268617242 1183535060 /nfs/dbraw/zinc/53/50/60/1183535060.db2.gz RDTMXBFPRLSELG-PLNGDYQASA-N 2 0 347.890 2.295 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001269746774 1184585847 /nfs/dbraw/zinc/58/58/47/1184585847.db2.gz JZLBEGXBOUHOBP-KRWDZBQOSA-N 2 0 333.520 2.491 10 30 EEEERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC#Cc3ccccc3)CCCC2)C1 ZINC001270818648 1185419560 /nfs/dbraw/zinc/41/95/60/1185419560.db2.gz ACSQUXASQNBMMM-LJQANCHMSA-N 2 0 339.483 2.008 10 30 EEEERP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001271753470 1186462536 /nfs/dbraw/zinc/46/25/36/1186462536.db2.gz YCIHXYZECMROPM-FXAWDEMLSA-N 2 0 345.531 2.348 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001425645943 1189641588 /nfs/dbraw/zinc/64/15/88/1189641588.db2.gz CKLPKEAJTYONBD-XJKSGUPXSA-N 2 0 333.879 2.388 10 30 EEEERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001409427220 1189661017 /nfs/dbraw/zinc/66/10/17/1189661017.db2.gz WMJCQSUXFIIWAT-ZIAGYGMSSA-N 2 0 334.439 2.022 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001485960339 1193659879 /nfs/dbraw/zinc/65/98/79/1193659879.db2.gz DXQCWLBRYGYGCB-INIZCTEOSA-N 2 0 349.906 2.468 10 30 EEEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484173848 1191253811 /nfs/dbraw/zinc/25/38/11/1191253811.db2.gz IGPUKBOZIKGVSP-HXUWFJFHSA-N 2 0 333.520 2.494 10 30 EEEERP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484198611 1191269774 /nfs/dbraw/zinc/26/97/74/1191269774.db2.gz KETYONOOBFNKFV-HNNXBMFYSA-N 2 0 343.462 2.368 10 30 EEEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC001485031218 1191621608 /nfs/dbraw/zinc/62/16/08/1191621608.db2.gz VTRGXIFNJZFRIK-KRWDZBQOSA-N 2 0 330.476 2.192 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2cccc(C)c2)CC1 ZINC001274609413 1205096591 /nfs/dbraw/zinc/09/65/91/1205096591.db2.gz KTOZXJOXYAACGG-PLNGDYQASA-N 2 0 339.483 2.102 10 30 EEEERP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001275190840 1205278026 /nfs/dbraw/zinc/27/80/26/1205278026.db2.gz NSWFAKAQROHGAY-LJQANCHMSA-N 2 0 333.520 2.302 10 30 EEEERP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001275609221 1205442511 /nfs/dbraw/zinc/44/25/11/1205442511.db2.gz NHXZZMZIELQJQL-OFLPRAFFSA-N 2 0 325.472 2.049 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCC2CC2)CC1 ZINC001275816746 1205548088 /nfs/dbraw/zinc/54/80/88/1205548088.db2.gz MTCWLGFEEHHXHU-PMACEKPBSA-N 2 0 345.531 2.396 10 30 EEEERP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925855472 1206161789 /nfs/dbraw/zinc/16/17/89/1206161789.db2.gz PHOQEENMVJADOJ-YJBOKZPZSA-N 2 0 342.439 2.035 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000928656270 1206408246 /nfs/dbraw/zinc/40/82/46/1206408246.db2.gz PWOLFQWMMFKYDN-LJQANCHMSA-N 2 0 343.446 2.004 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001672896031 1278405682 /nfs/dbraw/zinc/40/56/82/1278405682.db2.gz AFWYQRZEJKPFNO-KGLIPLIRSA-N 2 0 346.313 2.063 10 30 EEEERP C[NH+](C)[C@H](CNC(=O)C#CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000852872762 1292222696 /nfs/dbraw/zinc/22/26/96/1292222696.db2.gz QJTABNIBXBZSHW-QGZVFWFLSA-N 2 0 333.863 2.062 10 30 EEEERP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCO[C@@H](C)C#N)C2)ccn1 ZINC000856603705 1293579259 /nfs/dbraw/zinc/57/92/59/1293579259.db2.gz DGEWJQRTARTGPV-QFBILLFUSA-N 2 0 346.475 2.304 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC001211222697 1295763119 /nfs/dbraw/zinc/76/31/19/1295763119.db2.gz MORNREHCCPXQOW-QGZVFWFLSA-N 2 0 336.524 2.421 10 30 EEEERP C#CC[NH2+]CCC[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001277547452 1303884965 /nfs/dbraw/zinc/88/49/65/1303884965.db2.gz GASUSZWUTSKEAK-HKUYNNGSSA-N 2 0 327.472 2.189 10 30 EEEERP CC#CC[NH2+]CCC[C@@H](NC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001277546927 1303896991 /nfs/dbraw/zinc/89/69/91/1303896991.db2.gz CDYFTNOJZPOCNV-LJQANCHMSA-N 2 0 339.483 2.333 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001278200344 1306284234 /nfs/dbraw/zinc/28/42/34/1306284234.db2.gz DOYACVWMXZBRCD-SFHVURJKSA-N 2 0 345.531 2.301 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCC(C)(C)C)C[C@H]2C)CC1 ZINC001278422142 1310196128 /nfs/dbraw/zinc/19/61/28/1310196128.db2.gz ANZKOEFBGGZIIR-SJLPKXTDSA-N 2 0 333.520 2.347 10 30 EEEERP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC1(C)C ZINC001278656372 1317569687 /nfs/dbraw/zinc/56/96/87/1317569687.db2.gz KQPXIWLLFNGFBX-LJQANCHMSA-N 2 0 341.499 2.254 10 30 EEEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCOCC1 ZINC001278726610 1317883056 /nfs/dbraw/zinc/88/30/56/1317883056.db2.gz YUWBKZKNMOTPMX-ZWKOTPCHSA-N 2 0 349.519 2.225 10 30 EEEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001264677995 1322779615 /nfs/dbraw/zinc/77/96/15/1322779615.db2.gz NCAPZWHDJSKLGG-IAGOWNOFSA-N 2 0 325.472 2.050 10 30 EEEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001264679257 1322780117 /nfs/dbraw/zinc/78/01/17/1322780117.db2.gz AMZZHXDNIFICJK-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001264679258 1322780579 /nfs/dbraw/zinc/78/05/79/1322780579.db2.gz AMZZHXDNIFICJK-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001264744410 1322800615 /nfs/dbraw/zinc/80/06/15/1322800615.db2.gz XDGVKWODAIGTNZ-IBGZPJMESA-N 2 0 333.520 2.443 10 30 EEEERP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001265655237 1323301104 /nfs/dbraw/zinc/30/11/04/1323301104.db2.gz CYCWCWUEYMNCLW-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001265866739 1323439423 /nfs/dbraw/zinc/43/94/23/1323439423.db2.gz YUEABKUJOICUEN-SFHVURJKSA-N 2 0 330.476 2.083 10 30 EEEERP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266241898 1323831256 /nfs/dbraw/zinc/83/12/56/1323831256.db2.gz VVDDNSDPVZIRGL-CVEARBPZSA-N 2 0 327.900 2.442 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCF)cc1 ZINC001280350436 1324166307 /nfs/dbraw/zinc/16/63/07/1324166307.db2.gz JKMPIKVRJRBMNC-APWZRJJASA-N 2 0 345.462 2.411 10 30 EEEERP C#CCC[N@H+]1CCc2c(CNC(=O)C3([NH+](C)C)CCC3)cccc2C1 ZINC001280427268 1324219858 /nfs/dbraw/zinc/21/98/58/1324219858.db2.gz YQEQNUZHPYONLU-UHFFFAOYSA-N 2 0 339.483 2.169 10 30 EEEERP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001282664960 1325759758 /nfs/dbraw/zinc/75/97/58/1325759758.db2.gz CKFLRWFWLPFZKN-SJORKVTESA-N 2 0 325.472 2.050 10 30 EEEERP CC#CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001283433743 1326067823 /nfs/dbraw/zinc/06/78/23/1326067823.db2.gz IKBHYWRVGXGMOW-RTBURBONSA-N 2 0 327.472 2.331 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001316683283 1331320187 /nfs/dbraw/zinc/32/01/87/1331320187.db2.gz QUYMWTPDIUQZRT-HOCLYGCPSA-N 2 0 339.911 2.442 10 30 EEEERP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001317264942 1332158185 /nfs/dbraw/zinc/15/81/85/1332158185.db2.gz AZOIGJBDSCHHSL-OAHLLOKOSA-N 2 0 335.879 2.128 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001317369198 1332198630 /nfs/dbraw/zinc/19/86/30/1332198630.db2.gz WOXLRZLXSWIYTK-UXHICEINSA-N 2 0 339.483 2.085 10 30 EEEERP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317770573 1332403686 /nfs/dbraw/zinc/40/36/86/1332403686.db2.gz SMWTYFSBGPTFEX-FQEVSTJZSA-N 2 0 345.531 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCCCCC)C2)CC1 ZINC001318445639 1332537347 /nfs/dbraw/zinc/53/73/47/1332537347.db2.gz OLDBJKAYDZMQMO-IBGZPJMESA-N 2 0 333.520 2.445 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CCC)CC1 ZINC001324426855 1333681017 /nfs/dbraw/zinc/68/10/17/1333681017.db2.gz OEIHQGCUNNAQDW-MJGOQNOKSA-N 2 0 331.504 2.340 10 30 EEEERP C#CCN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](CC(C)C)CC1 ZINC001324442431 1333685150 /nfs/dbraw/zinc/68/51/50/1333685150.db2.gz ZZYCCNMBSPFPKC-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001325631987 1333928466 /nfs/dbraw/zinc/92/84/66/1333928466.db2.gz JDEHPEVDJUVPTG-OKYOBFRVSA-N 2 0 331.504 2.243 10 30 EEEERP C=CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001330300976 1334820199 /nfs/dbraw/zinc/82/01/99/1334820199.db2.gz YLEPZIQEKXTPLI-LWYYNNOASA-N 2 0 345.531 2.369 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001330818168 1334908661 /nfs/dbraw/zinc/90/86/61/1334908661.db2.gz AEVRNRLFCMTGFA-FRQCXROJSA-N 2 0 342.487 2.273 10 30 EEEERP C[C@@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)CCCC[NH+](C)C ZINC001331930342 1335679861 /nfs/dbraw/zinc/67/98/61/1335679861.db2.gz WNKZVHPEGGIOEJ-VQIMIIECSA-N 2 0 342.487 2.369 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001671968340 1356445952 /nfs/dbraw/zinc/44/59/52/1356445952.db2.gz KJGZAGIPCJXITJ-GJZGRUSLSA-N 2 0 331.451 2.366 10 30 EEEERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001567052569 1342687235 /nfs/dbraw/zinc/68/72/35/1342687235.db2.gz GIBKGOFNAUWRGC-LPHOPBHVSA-N 2 0 347.478 2.392 10 30 EEEERP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568776486 1342853979 /nfs/dbraw/zinc/85/39/79/1342853979.db2.gz MRIPDRBBIKTRMK-MOPGFXCFSA-N 2 0 329.488 2.346 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001569705739 1342927359 /nfs/dbraw/zinc/92/73/59/1342927359.db2.gz XKHVRJNCZXYJQU-GOSISDBHSA-N 2 0 333.520 2.491 10 30 EEEERP CC[C@@H](C(=O)N1C[C@H]([NH2+]CC#Cc2ccccc2)C(C)(C)C1)[NH+](C)C ZINC001571563856 1343238227 /nfs/dbraw/zinc/23/82/27/1343238227.db2.gz RRMGJTSZZDKHCW-OALUTQOASA-N 2 0 341.499 2.205 10 30 EEEERP C#CC[NH2+][C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccccc1 ZINC001676898861 1357237673 /nfs/dbraw/zinc/23/76/73/1357237673.db2.gz SNQCYMBJNYOWOB-IBGZPJMESA-N 2 0 341.499 2.201 10 30 EEEERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001677620863 1357374489 /nfs/dbraw/zinc/37/44/89/1357374489.db2.gz IVFAMPQERFZFMB-UHFFFAOYSA-N 2 0 340.471 2.148 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001656650615 1354257588 /nfs/dbraw/zinc/25/75/88/1354257588.db2.gz IEHYXSJLCHNEKT-YZGWKJHDSA-N 2 0 345.531 2.491 10 30 EEEERP N#Cc1ccccc1C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001660753305 1354532291 /nfs/dbraw/zinc/53/22/91/1354532291.db2.gz QKDDWOCPWUPHFF-UHFFFAOYSA-N 2 0 340.471 2.125 10 30 EEEERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)C1CC1 ZINC001661142962 1354597079 /nfs/dbraw/zinc/59/70/79/1354597079.db2.gz PNWWEDMDFXNAIT-UXHICEINSA-N 2 0 339.483 2.007 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cccc(CC)c2)CC1 ZINC001664391776 1355152805 /nfs/dbraw/zinc/15/28/05/1355152805.db2.gz RAVGYGPJVCQACW-UHFFFAOYSA-N 2 0 341.499 2.142 10 30 EEEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001664457973 1355169250 /nfs/dbraw/zinc/16/92/50/1355169250.db2.gz XQBZQFAXEPGXAK-GOSISDBHSA-N 2 0 341.499 2.011 10 30 EEEERP C#CC[NH+]1CCC(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001666375244 1355519777 /nfs/dbraw/zinc/51/97/77/1355519777.db2.gz VIGYGJBXNKOWGO-UHFFFAOYSA-N 2 0 333.520 2.350 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1C#N ZINC001668320372 1355922615 /nfs/dbraw/zinc/92/26/15/1355922615.db2.gz QALSZCXMDDGFKT-AWEZNQCLSA-N 2 0 334.439 2.022 10 30 EEEERP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001672391936 1356513881 /nfs/dbraw/zinc/51/38/81/1356513881.db2.gz DGDSYEXFPOQPJU-QZTJIDSGSA-N 2 0 336.439 2.155 10 30 EEEERP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001672392792 1356514530 /nfs/dbraw/zinc/51/45/30/1356514530.db2.gz PUKWVAZYJKWWRM-LJQANCHMSA-N 2 0 327.472 2.112 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001672987153 1356626838 /nfs/dbraw/zinc/62/68/38/1356626838.db2.gz MBHGIRWZXSFGEQ-CADBVGFASA-N 2 0 331.504 2.291 10 30 EEEERP C[NH+](C)C1(C(=O)NCC2([NH2+]CC#Cc3ccccc3)CCC2)CCC1 ZINC001673176251 1356651915 /nfs/dbraw/zinc/65/19/15/1356651915.db2.gz UMCMOJKSEFOHBT-UHFFFAOYSA-N 2 0 339.483 2.151 10 30 EEEERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001673917090 1356759809 /nfs/dbraw/zinc/75/98/09/1356759809.db2.gz JMCMSFYQVCGYJN-APWZRJJASA-N 2 0 342.487 2.227 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001674261832 1356807550 /nfs/dbraw/zinc/80/75/50/1356807550.db2.gz NUBVYTLPECRACU-SFHVURJKSA-N 2 0 341.499 2.325 10 30 EEEERP CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001674342562 1356820973 /nfs/dbraw/zinc/82/09/73/1356820973.db2.gz ABLLRBGCPSQEHD-RBUKOAKNSA-N 2 0 333.520 2.301 10 30 EEEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001675599022 1357012135 /nfs/dbraw/zinc/01/21/35/1357012135.db2.gz LGJYCTAAHSCDOL-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001699687632 1405440810 /nfs/dbraw/zinc/44/08/10/1405440810.db2.gz IFPNDNMFUGFARZ-UXHICEINSA-N 2 0 343.515 2.340 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941157412 779999125 /nfs/dbraw/zinc/99/91/25/779999125.db2.gz BZFWIJZOZWVPEZ-IBGZPJMESA-N 2 0 345.531 2.348 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000914099313 794871703 /nfs/dbraw/zinc/87/17/03/794871703.db2.gz YYABTRZNAFNDOI-QGZVFWFLSA-N 2 0 334.508 2.038 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+](CC=C)CC=C)CC1 ZINC000914126137 794941467 /nfs/dbraw/zinc/94/14/67/794941467.db2.gz UQMNITGLEILQIA-LJQANCHMSA-N 2 0 346.519 2.082 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCC)[C@@H]2CC)CC1 ZINC001566028886 1125504812 /nfs/dbraw/zinc/50/48/12/1125504812.db2.gz JGSUURISGYLOMS-RBUKOAKNSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001566132021 1125584435 /nfs/dbraw/zinc/58/44/35/1125584435.db2.gz UUNFOSFEQAFAQZ-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C=C(Br)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001438777304 1091370771 /nfs/dbraw/zinc/37/07/71/1091370771.db2.gz UNJKHCXUJYHVJZ-GXTWGEPZSA-N 2 0 346.313 2.063 10 30 EEEERP CC[C@H](C(=O)NC[C@H]([NH2+]Cc1cc(C#N)ccc1F)C(C)C)[NH+](C)C ZINC001438834735 1091459360 /nfs/dbraw/zinc/45/93/60/1091459360.db2.gz LUKNBVIPRIXAAD-ZWKOTPCHSA-N 2 0 348.466 2.268 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001441849661 1095935537 /nfs/dbraw/zinc/93/55/37/1095935537.db2.gz MYJHQASNUFWBCQ-BBRMVZONSA-N 2 0 334.489 2.087 10 30 EEEERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001443947174 1098467446 /nfs/dbraw/zinc/46/74/46/1098467446.db2.gz RWRRXZLQOSCVSV-SJLPKXTDSA-N 2 0 346.450 2.166 10 30 EEEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001479835568 1099119693 /nfs/dbraw/zinc/11/96/93/1099119693.db2.gz XHIJRTXDRIZMOC-FUHWJXTLSA-N 2 0 337.508 2.033 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001480263280 1099948831 /nfs/dbraw/zinc/94/88/31/1099948831.db2.gz MKDMFOLQSSYKGE-HXUWFJFHSA-N 2 0 341.499 2.012 10 30 EEEERP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN(C)Cc1ccccc1 ZINC001480335234 1100098353 /nfs/dbraw/zinc/09/83/53/1100098353.db2.gz OWDIJOQGMSZFMV-LJQANCHMSA-N 2 0 327.472 2.112 10 30 EEEERP C=C(Br)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001498552076 1107707773 /nfs/dbraw/zinc/70/77/73/1107707773.db2.gz NIWVBZCFFUKSHG-CQSZACIVSA-N 2 0 346.313 2.206 10 30 EEEERP CN(CCC[NH2+]Cc1ccc(C#N)s1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001498591548 1107773883 /nfs/dbraw/zinc/77/38/83/1107773883.db2.gz FDUHSECMJSHXEX-UHFFFAOYSA-N 2 0 348.516 2.432 10 30 EEEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001479369386 1110687684 /nfs/dbraw/zinc/68/76/84/1110687684.db2.gz RSULPCLPMPZWEG-BZSNNMDCSA-N 2 0 331.504 2.149 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001501698267 1113440343 /nfs/dbraw/zinc/44/03/43/1113440343.db2.gz JARRTFLCXVWCIT-MKXGPGLRSA-N 2 0 331.504 2.291 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)Cc1ccccc1C#N ZINC001502401845 1113667342 /nfs/dbraw/zinc/66/73/42/1113667342.db2.gz UDLVLEYSRYDIJZ-UHFFFAOYSA-N 2 0 330.476 2.179 10 30 EEEERP C#CCC[N@@H+](C)CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001507819737 1115352084 /nfs/dbraw/zinc/35/20/84/1115352084.db2.gz RRYAFNHWAODUAL-UHFFFAOYSA-N 2 0 339.443 2.073 10 30 EEEERP C#CCC[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C(C)(C)C ZINC001507969411 1115382449 /nfs/dbraw/zinc/38/24/49/1115382449.db2.gz ILSCCZVEZYPOCA-QGZVFWFLSA-N 2 0 326.444 2.400 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](CC[NH2+]CCC3CC3)C2)CC1 ZINC001568077365 1124282000 /nfs/dbraw/zinc/28/20/00/1124282000.db2.gz ZTEHZWHEKVPHLS-IBGZPJMESA-N 2 0 345.531 2.350 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001569202021 1125161179 /nfs/dbraw/zinc/16/11/79/1125161179.db2.gz RTBSWMFVNFGWRM-QGZVFWFLSA-N 2 0 348.516 2.431 10 30 EEEERP CN(CCC[NH2+]Cc1ccc(C#N)s1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001569211380 1125167793 /nfs/dbraw/zinc/16/77/93/1125167793.db2.gz ZEIVVDVOFBDDBJ-HNNXBMFYSA-N 2 0 348.516 2.432 10 30 EEEERP CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCN(C3CC3)CC1)C2 ZINC000329298539 465291217 /nfs/dbraw/zinc/29/12/17/465291217.db2.gz ULACCYGJPRUOFQ-CQSZACIVSA-N 2 0 345.491 2.189 10 30 EEEERP CN(C(=O)CC1(C#N)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000590315042 468233922 /nfs/dbraw/zinc/23/39/22/468233922.db2.gz HMTYITXRHMOMDC-ROUUACIJSA-N 2 0 346.519 2.476 10 30 EEEERP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600717276 468632012 /nfs/dbraw/zinc/63/20/12/468632012.db2.gz PXHOKWROVUDKLU-ROUUACIJSA-N 2 0 337.508 2.159 10 30 EEEERP C=CC[C@]1(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662697822 472213482 /nfs/dbraw/zinc/21/34/82/472213482.db2.gz CJYOHCHLUQWBSS-OXJNMPFZSA-N 2 0 327.472 2.248 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C(C)C ZINC000173927461 527648995 /nfs/dbraw/zinc/64/89/95/527648995.db2.gz LKWZPHAYUADPRN-RTBURBONSA-N 2 0 346.519 2.341 10 30 EEEERP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266855995 1177582367 /nfs/dbraw/zinc/58/23/67/1177582367.db2.gz IUMABILXJORZTP-APWZRJJASA-N 2 0 337.483 2.193 10 30 EEEERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001266948224 1177872332 /nfs/dbraw/zinc/87/23/32/1177872332.db2.gz LNAJWWOZDWCXDO-MAUKXSAKSA-N 2 0 347.890 2.270 10 30 EEEERP C#CC[NH2+]CCCCCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001692161506 1178008892 /nfs/dbraw/zinc/00/88/92/1178008892.db2.gz IIXGOCQRXISFAD-IBGZPJMESA-N 2 0 339.499 2.441 10 30 EEEERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001266987451 1178043121 /nfs/dbraw/zinc/04/31/21/1178043121.db2.gz QBMQWMSRDFNORU-OAHLLOKOSA-N 2 0 335.879 2.128 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001267109129 1178263703 /nfs/dbraw/zinc/26/37/03/1178263703.db2.gz BZPLSWSZMHMXBW-ZIAGYGMSSA-N 2 0 334.489 2.041 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001267155367 1178339646 /nfs/dbraw/zinc/33/96/46/1178339646.db2.gz QUQJVQFZHLJESV-HNNXBMFYSA-N 2 0 333.501 2.078 10 30 EEEERP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001750938999 1178597373 /nfs/dbraw/zinc/59/73/73/1178597373.db2.gz IUDVGHAMBLBIFW-UHFFFAOYSA-N 2 0 348.516 2.178 10 30 EEEERP CC#CC[N@H+](CCNC(=O)c1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC001267332586 1178771268 /nfs/dbraw/zinc/77/12/68/1178771268.db2.gz GPXSPJZQNSBNJN-UHFFFAOYSA-N 2 0 327.472 2.008 10 30 EEEERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001481280623 1180775213 /nfs/dbraw/zinc/77/52/13/1180775213.db2.gz UOVIFSOFDIAROO-INIZCTEOSA-N 2 0 347.890 2.081 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC/C=C/CC)CC1 ZINC001267970299 1180875521 /nfs/dbraw/zinc/87/55/21/1180875521.db2.gz RLULJHLVLVNEDC-ZMBJWTFHSA-N 2 0 331.504 2.269 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001268132829 1181786321 /nfs/dbraw/zinc/78/63/21/1181786321.db2.gz PRHQCARONKIGLL-ROUUACIJSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCOCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001268224824 1182037009 /nfs/dbraw/zinc/03/70/09/1182037009.db2.gz ORDOPZRLKJEWTM-ROUUACIJSA-N 2 0 337.508 2.033 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1cccc(C#N)c1 ZINC001481813719 1182728573 /nfs/dbraw/zinc/72/85/73/1182728573.db2.gz LZLHOWZWTWVGMO-GBESFXJTSA-N 2 0 342.487 2.273 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001482031681 1183169517 /nfs/dbraw/zinc/16/95/17/1183169517.db2.gz WSTKUCOBDWIAJN-FQEVSTJZSA-N 2 0 339.483 2.433 10 30 EEEERP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001270042492 1184808591 /nfs/dbraw/zinc/80/85/91/1184808591.db2.gz QFGSIRNHCWJICF-VPLLLXJESA-N 2 0 337.508 2.079 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001270737694 1185357608 /nfs/dbraw/zinc/35/76/08/1185357608.db2.gz ROWZJRUYCUDDBQ-PZJWPPBQSA-N 2 0 345.531 2.493 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001271598832 1186330436 /nfs/dbraw/zinc/33/04/36/1186330436.db2.gz DQZVKFBZZJQJHQ-FQEVSTJZSA-N 2 0 345.531 2.493 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001482570606 1186905720 /nfs/dbraw/zinc/90/57/20/1186905720.db2.gz FPBYBOYOXSILAY-GOSISDBHSA-N 2 0 348.466 2.268 10 30 EEEERP C[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(C#N)c1)[NH+]1CCCCCC1 ZINC001483270631 1190294132 /nfs/dbraw/zinc/29/41/32/1190294132.db2.gz BVUBHAXIOZBHHF-DLBZAZTESA-N 2 0 342.487 2.417 10 30 EEEERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)CN(C)CC#Cc1ccccc1 ZINC001483343899 1190378115 /nfs/dbraw/zinc/37/81/15/1190378115.db2.gz LABXMXQQAYKHMC-MJGOQNOKSA-N 2 0 347.478 2.155 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC001486133400 1193690510 /nfs/dbraw/zinc/69/05/10/1193690510.db2.gz BUKIUBIQRVGZOL-WMLDXEAASA-N 2 0 346.450 2.117 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001483741867 1190891644 /nfs/dbraw/zinc/89/16/44/1190891644.db2.gz DALGOCUHTYHVSZ-IBGZPJMESA-N 2 0 339.483 2.151 10 30 EEEERP CC#CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001484003406 1191151869 /nfs/dbraw/zinc/15/18/69/1191151869.db2.gz UPIDEIREZOCYRJ-GOSISDBHSA-N 2 0 331.504 2.150 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001484166483 1191254156 /nfs/dbraw/zinc/25/41/56/1191254156.db2.gz HQPWJOBSARBFCT-FQEVSTJZSA-N 2 0 342.487 2.228 10 30 EEEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001484409055 1191337679 /nfs/dbraw/zinc/33/76/79/1191337679.db2.gz ITZBHAXEZIVRKN-BBWFWOEESA-N 2 0 325.472 2.023 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001484462099 1191366449 /nfs/dbraw/zinc/36/64/49/1191366449.db2.gz BELGZZIQBAUBSP-RTBURBONSA-N 2 0 331.504 2.341 10 30 EEEERP C=C(Br)C[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001484550102 1191409802 /nfs/dbraw/zinc/40/98/02/1191409802.db2.gz PPFKJLQOOPJZOR-AWEZNQCLSA-N 2 0 346.313 2.065 10 30 EEEERP C=CCC[N@@H+]1CCOC2(CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001485009400 1191614452 /nfs/dbraw/zinc/61/44/52/1191614452.db2.gz CLEYROPXMBXVCF-UHFFFAOYSA-N 2 0 349.519 2.132 10 30 EEEERP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810633763 1199635322 /nfs/dbraw/zinc/63/53/22/1199635322.db2.gz LZKJBZFFUVJCFK-QAPCUYQASA-N 2 0 326.456 2.476 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000876779910 1199771195 /nfs/dbraw/zinc/77/11/95/1199771195.db2.gz NTEFIDQGZZXBFH-INIZCTEOSA-N 2 0 336.867 2.237 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000876898237 1199811227 /nfs/dbraw/zinc/81/12/27/1199811227.db2.gz PWOFRVOKBGLXMJ-XJKSGUPXSA-N 2 0 336.867 2.193 10 30 EEEERP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001275159421 1205269832 /nfs/dbraw/zinc/26/98/32/1205269832.db2.gz CEBWMOWVRXQIJS-MOPGFXCFSA-N 2 0 327.472 2.235 10 30 EEEERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000925650509 1206139916 /nfs/dbraw/zinc/13/99/16/1206139916.db2.gz PNTQVESSGWIPBG-KURKYZTESA-N 2 0 340.471 2.155 10 30 EEEERP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000925782810 1206153413 /nfs/dbraw/zinc/15/34/13/1206153413.db2.gz MRRLHXHUPKMPPO-QGZVFWFLSA-N 2 0 348.441 2.357 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000928012112 1206326710 /nfs/dbraw/zinc/32/67/10/1206326710.db2.gz STNZJRDRXQZQIK-UHFFFAOYSA-N 2 0 331.504 2.245 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000901090735 1235208304 /nfs/dbraw/zinc/20/83/04/1235208304.db2.gz XZBWWOJGRZAOOQ-UHFFFAOYSA-N 2 0 345.491 2.058 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(F)c(C#N)c1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273598209 1280784891 /nfs/dbraw/zinc/78/48/91/1280784891.db2.gz ZHQYXGCLCSMIJI-GOSISDBHSA-N 2 0 348.466 2.222 10 30 EEEERP O=C(C#CC1CC[NH2+]CC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000852802559 1292202876 /nfs/dbraw/zinc/20/28/76/1292202876.db2.gz QAZQGQCTRLCUAE-UHFFFAOYSA-N 2 0 331.504 2.294 10 30 EEEERP C[N@@H+]1CCC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000852869645 1292221631 /nfs/dbraw/zinc/22/16/31/1292221631.db2.gz DBTWSEBKGXNRMN-VQIMIIECSA-N 2 0 345.512 2.250 10 30 EEEERP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001263186429 1322442043 /nfs/dbraw/zinc/44/20/43/1322442043.db2.gz BVCMHRDMDVZPTJ-IAGOWNOFSA-N 2 0 343.471 2.432 10 30 EEEERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001265554191 1323217544 /nfs/dbraw/zinc/21/75/44/1323217544.db2.gz MWPPSDQTKSZULL-FRYIKTPZSA-N 2 0 339.483 2.005 10 30 EEEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001266067760 1323622562 /nfs/dbraw/zinc/62/25/62/1323622562.db2.gz NKGGVAWKIYUPNL-PMACEKPBSA-N 2 0 341.499 2.445 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001279273162 1323861212 /nfs/dbraw/zinc/86/12/12/1323861212.db2.gz NLIUAFBTHWEHFR-VJANTYMQSA-N 2 0 333.520 2.252 10 30 EEEERP CN(C(=O)CCCC[NH+](C)C)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001279315612 1323871903 /nfs/dbraw/zinc/87/19/03/1323871903.db2.gz MVUOMNSNKQLRQM-UHFFFAOYSA-N 2 0 341.499 2.349 10 30 EEEERP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001282664959 1325759948 /nfs/dbraw/zinc/75/99/48/1325759948.db2.gz CKFLRWFWLPFZKN-IRXDYDNUSA-N 2 0 325.472 2.050 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001284199948 1326457444 /nfs/dbraw/zinc/45/74/44/1326457444.db2.gz YJASOULOZWGLPR-MSOLQXFVSA-N 2 0 333.520 2.396 10 30 EEEERP CC#CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1(C)C ZINC001284310768 1326499324 /nfs/dbraw/zinc/49/93/24/1326499324.db2.gz TXGOAEYALSMLQA-KRWDZBQOSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001316683280 1331320040 /nfs/dbraw/zinc/32/00/40/1331320040.db2.gz QUYMWTPDIUQZRT-GOEBONIOSA-N 2 0 339.911 2.442 10 30 EEEERP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001317360392 1332194736 /nfs/dbraw/zinc/19/47/36/1332194736.db2.gz YXIZITOTXPNCQT-MOPGFXCFSA-N 2 0 329.488 2.364 10 30 EEEERP CN(CC[NH2+]Cc1cc(C#N)ccc1F)C(=O)CC[NH+]1CCCCC1 ZINC001317670931 1332362652 /nfs/dbraw/zinc/36/26/52/1332362652.db2.gz ZIJWMLGISYDRLU-UHFFFAOYSA-N 2 0 346.450 2.121 10 30 EEEERP C[C@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320464929 1332890296 /nfs/dbraw/zinc/89/02/96/1332890296.db2.gz VVOZUUFNBVGJQE-RDTXWAMCSA-N 2 0 346.450 2.166 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC001324075060 1333602929 /nfs/dbraw/zinc/60/29/29/1333602929.db2.gz PFPOORSTUXTCMN-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001324432038 1333681692 /nfs/dbraw/zinc/68/16/92/1333681692.db2.gz NZBASBFKRUNELR-QUCCMNQESA-N 2 0 343.515 2.056 10 30 EEEERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001326307136 1334065116 /nfs/dbraw/zinc/06/51/16/1334065116.db2.gz ZGBMEFJEJMDFPB-VQTJNVASSA-N 2 0 341.499 2.207 10 30 EEEERP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001328695161 1334501136 /nfs/dbraw/zinc/50/11/36/1334501136.db2.gz ZYFHFNNZJJUWRD-TZIWHRDSSA-N 2 0 339.483 2.258 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]C/C=C/Cl)C(C)C ZINC001329741650 1334706239 /nfs/dbraw/zinc/70/62/39/1334706239.db2.gz JDOHTUDWUNQTLZ-CFMJQPPZSA-N 2 0 339.911 2.299 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001668214020 1355900861 /nfs/dbraw/zinc/90/08/61/1355900861.db2.gz HMHXOLVVWGKALA-CJNGLKHVSA-N 2 0 333.879 2.436 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001500292314 1342139274 /nfs/dbraw/zinc/13/92/74/1342139274.db2.gz IBTNOEWLAOMVAH-PXDRNWIDSA-N 2 0 331.504 2.269 10 30 EEEERP C#CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1CC ZINC001569799800 1342947092 /nfs/dbraw/zinc/94/70/92/1342947092.db2.gz ITBAOELEWSPCMO-GOSISDBHSA-N 2 0 327.472 2.113 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001569843047 1342956636 /nfs/dbraw/zinc/95/66/36/1342956636.db2.gz IQODMNDNQAGRSB-PKOBYXMFSA-N 2 0 341.499 2.112 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)C[NH+]1CCCC1 ZINC001571324199 1343181194 /nfs/dbraw/zinc/18/11/94/1343181194.db2.gz ACSULXDJSRAYNX-CQSZACIVSA-N 2 0 334.489 2.090 10 30 EEEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@@H]1C ZINC001676669933 1357178316 /nfs/dbraw/zinc/17/83/16/1357178316.db2.gz ZCUJZVCCIJIJMG-MJGOQNOKSA-N 2 0 329.488 2.316 10 30 EEEERP C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001626956095 1352478520 /nfs/dbraw/zinc/47/85/20/1352478520.db2.gz DJHKYZXJFLTAQT-UHFFFAOYSA-N 2 0 348.466 2.412 10 30 EEEERP C=CCC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001673209693 1354183573 /nfs/dbraw/zinc/18/35/73/1354183573.db2.gz FSUBHQSUGBHZKP-GOSISDBHSA-N 2 0 325.472 2.404 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001656839591 1354283288 /nfs/dbraw/zinc/28/32/88/1354283288.db2.gz GAXMFMJMBLZVSO-KURKYZTESA-N 2 0 331.504 2.217 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC001666139446 1355463776 /nfs/dbraw/zinc/46/37/76/1355463776.db2.gz BGWLCUFKBHSICT-HXUWFJFHSA-N 2 0 341.499 2.208 10 30 EEEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001667107772 1355649153 /nfs/dbraw/zinc/64/91/53/1355649153.db2.gz HGGNAGXHVWNODM-APWZRJJASA-N 2 0 339.499 2.343 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]C[C@H](C)CC)C2)CC1 ZINC001672915238 1356614406 /nfs/dbraw/zinc/61/44/06/1356614406.db2.gz GRZWHCCIOPKHNK-MSOLQXFVSA-N 2 0 333.520 2.206 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699758675 1405469518 /nfs/dbraw/zinc/46/95/18/1405469518.db2.gz MLYUVCWBMCBOAK-YJBOKZPZSA-N 2 0 325.472 2.356 10 30 EEEERP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001699805095 1405496301 /nfs/dbraw/zinc/49/63/01/1405496301.db2.gz LJHAXGGESLBJKA-HXUWFJFHSA-N 2 0 333.520 2.302 10 30 EEEERP C#CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000919143378 769637158 /nfs/dbraw/zinc/63/71/58/769637158.db2.gz HXKGXSUKCHIRLG-QGZVFWFLSA-N 2 0 336.524 2.092 10 30 EEEERP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923385760 789481727 /nfs/dbraw/zinc/48/17/27/789481727.db2.gz HPHXWLBTAJIDMQ-RTBURBONSA-N 2 0 343.471 2.010 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001438851131 1091488624 /nfs/dbraw/zinc/48/86/24/1091488624.db2.gz QBNZRQFZRUXSER-GOSISDBHSA-N 2 0 348.466 2.268 10 30 EEEERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001446017824 1092003320 /nfs/dbraw/zinc/00/33/20/1092003320.db2.gz UOAXREIIAIJOAK-PBHICJAKSA-N 2 0 348.516 2.288 10 30 EEEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001439889114 1092946489 /nfs/dbraw/zinc/94/64/89/1092946489.db2.gz VVPAKVJMQHLEEF-ZOBUZTSGSA-N 2 0 327.900 2.297 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001448393090 1093390233 /nfs/dbraw/zinc/39/02/33/1093390233.db2.gz HXYDBTJQGBYKQV-SFHVURJKSA-N 2 0 342.487 2.225 10 30 EEEERP CC(C)N(CCN(C)Cc1ccc(C#N)s1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001449254314 1094201808 /nfs/dbraw/zinc/20/18/08/1094201808.db2.gz BQJQWAWUZXJRPA-QGZVFWFLSA-N 2 0 348.516 2.383 10 30 EEEERP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CN1C(=O)CCC[NH+](C)C ZINC001441828639 1095884220 /nfs/dbraw/zinc/88/42/20/1095884220.db2.gz BMGWMNVOONOMMN-YOEHRIQHSA-N 2 0 346.450 2.118 10 30 EEEERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(C#N)c2)C(C)(C)C)C1 ZINC001442174195 1096440308 /nfs/dbraw/zinc/44/03/08/1096440308.db2.gz KLHGNKCLATULQX-MSOLQXFVSA-N 2 0 342.487 2.130 10 30 EEEERP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001443329502 1097833726 /nfs/dbraw/zinc/83/37/26/1097833726.db2.gz WAFVQNHCVIYUIG-XHSDSOJGSA-N 2 0 327.900 2.250 10 30 EEEERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001480521795 1100351888 /nfs/dbraw/zinc/35/18/88/1100351888.db2.gz LFHISYHWFFOKRC-QFBILLFUSA-N 2 0 342.487 2.275 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001495681561 1101427116 /nfs/dbraw/zinc/42/71/16/1101427116.db2.gz HLTLXOAXMAFCLQ-UZLBHIALSA-N 2 0 341.499 2.243 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001496902532 1101693861 /nfs/dbraw/zinc/69/38/61/1101693861.db2.gz FHAWSJHEWZIXMK-PMACEKPBSA-N 2 0 341.499 2.302 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001497501556 1102590509 /nfs/dbraw/zinc/59/05/09/1102590509.db2.gz XQSNILZTYMNGIY-GJZGRUSLSA-N 2 0 348.516 2.431 10 30 EEEERP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001447915012 1103584329 /nfs/dbraw/zinc/58/43/29/1103584329.db2.gz VJGXHXLBBDSLDB-GJZGRUSLSA-N 2 0 348.516 2.334 10 30 EEEERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC#Cc1ccccc1 ZINC001494983444 1104627176 /nfs/dbraw/zinc/62/71/76/1104627176.db2.gz NSYXKAMSSFAMPW-HSALFYBXSA-N 2 0 341.499 2.253 10 30 EEEERP CN(CCC[NH2+]CC#Cc1ccccc1Cl)C(=O)C[NH+]1CCCC1 ZINC001498656004 1107906672 /nfs/dbraw/zinc/90/66/72/1107906672.db2.gz YHESFPNOVUSPHO-UHFFFAOYSA-N 2 0 347.890 2.225 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001498978598 1108407330 /nfs/dbraw/zinc/40/73/30/1108407330.db2.gz HEXITTJASXTGNC-HKUYNNGSSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001499530988 1112346847 /nfs/dbraw/zinc/34/68/47/1112346847.db2.gz PEIUOKGVHXPHNL-UHFFFAOYSA-N 2 0 345.531 2.443 10 30 EEEERP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001499576581 1112382506 /nfs/dbraw/zinc/38/25/06/1112382506.db2.gz LRAOGSMYKFFGIT-LJQANCHMSA-N 2 0 331.504 2.363 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001500057853 1112596462 /nfs/dbraw/zinc/59/64/62/1112596462.db2.gz OPTPDPVPSQHIDJ-LJQANCHMSA-N 2 0 345.531 2.445 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001501181253 1113231049 /nfs/dbraw/zinc/23/10/49/1113231049.db2.gz GFHQDBXTJQHLOO-IYARVYRRSA-N 2 0 331.504 2.150 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001507298911 1115180366 /nfs/dbraw/zinc/18/03/66/1115180366.db2.gz RZVLBDGWAGSQQG-KBXCAEBGSA-N 2 0 346.450 2.117 10 30 EEEERP C=CC[NH2+][C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001507390018 1115247238 /nfs/dbraw/zinc/24/72/38/1115247238.db2.gz QZZFUOQFKRAIII-NZSAHSFTSA-N 2 0 329.488 2.220 10 30 EEEERP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001507453899 1115278814 /nfs/dbraw/zinc/27/88/14/1115278814.db2.gz QAMUGOZUQBSNAF-MSOLQXFVSA-N 2 0 333.520 2.347 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001507456157 1115280522 /nfs/dbraw/zinc/28/05/22/1115280522.db2.gz GXMAODMZEPXLLG-ZIAGYGMSSA-N 2 0 335.414 2.131 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001568118515 1124312602 /nfs/dbraw/zinc/31/26/02/1124312602.db2.gz WCGUZNAXMDQTLF-IBGZPJMESA-N 2 0 327.472 2.289 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001568396512 1124466657 /nfs/dbraw/zinc/46/66/57/1124466657.db2.gz GVZQRAAVPMJCBC-LJQANCHMSA-N 2 0 333.520 2.491 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001568539735 1124600796 /nfs/dbraw/zinc/60/07/96/1124600796.db2.gz FMRPRCKUAFOWDG-VQTJNVASSA-N 2 0 341.499 2.254 10 30 EEEERP C[C@@H]1C[C@@H](NC(=O)C2CCN(Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000329456878 465339730 /nfs/dbraw/zinc/33/97/30/465339730.db2.gz QGBWZMWPSSIQSQ-ZBFHGGJFSA-N 2 0 333.480 2.071 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)NCCC2CC[NH+](CC)CC2)CC1 ZINC000074129911 462559647 /nfs/dbraw/zinc/55/96/47/462559647.db2.gz NXJISIILMBVSKE-UHFFFAOYSA-N 2 0 336.524 2.448 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](n3ccnc3CC)C2)CC1 ZINC000172463438 464087829 /nfs/dbraw/zinc/08/78/29/464087829.db2.gz MTUYKPPCTRUTKL-QGZVFWFLSA-N 2 0 345.491 2.442 10 30 EEEERP CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594032966 468468737 /nfs/dbraw/zinc/46/87/37/468468737.db2.gz SXWRXXFMHCMDGC-UHFFFAOYSA-N 2 0 340.471 2.128 10 30 EEEERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)NCC[NH+](C)C ZINC000347252617 466511522 /nfs/dbraw/zinc/51/15/22/466511522.db2.gz QUQDWUYXTLEMKO-YJBOKZPZSA-N 2 0 330.476 2.301 10 30 EEEERP CN(C(=O)CC1(C#N)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000590315040 468233407 /nfs/dbraw/zinc/23/34/07/468233407.db2.gz HMTYITXRHMOMDC-MSOLQXFVSA-N 2 0 346.519 2.476 10 30 EEEERP C(#CCN1CCOCC12CCCC2)CN1CCOCC12CCCC2 ZINC000556499165 468530758 /nfs/dbraw/zinc/53/07/58/468530758.db2.gz AURXBMDEORABKQ-UHFFFAOYSA-N 2 0 332.488 2.280 10 30 EEEERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437890 468586309 /nfs/dbraw/zinc/58/63/09/468586309.db2.gz QAQOPVMWUNISHA-BPQIPLTHSA-N 2 0 328.460 2.034 10 30 EEEERP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594438509 468586378 /nfs/dbraw/zinc/58/63/78/468586378.db2.gz JHQQLCLJQPYFNF-HOTGVXAUSA-N 2 0 336.867 2.470 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000594439389 468587975 /nfs/dbraw/zinc/58/79/75/468587975.db2.gz VHRNLWZLZSXSEK-ROUUACIJSA-N 2 0 328.460 2.178 10 30 EEEERP C=CC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662697824 472213243 /nfs/dbraw/zinc/21/32/43/472213243.db2.gz CJYOHCHLUQWBSS-OXQOHEQNSA-N 2 0 327.472 2.248 10 30 EEEERP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000662738688 472229040 /nfs/dbraw/zinc/22/90/40/472229040.db2.gz YPVGALISAWRUDG-UYAOXDASSA-N 2 0 327.472 2.466 10 30 EEEERP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000261723054 676390270 /nfs/dbraw/zinc/39/02/70/676390270.db2.gz XASGPGLAWCRJEB-AKONKWBKSA-N 2 0 346.519 2.124 10 30 EEEERP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)Cc1ccccc1 ZINC000066242215 681444518 /nfs/dbraw/zinc/44/45/18/681444518.db2.gz GFVQAJWMTCEVBJ-MSOLQXFVSA-N 2 0 332.492 2.023 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCCCCC)CC1 ZINC001266495576 1176638795 /nfs/dbraw/zinc/63/87/95/1176638795.db2.gz PGBMBQCKXWFEOT-IBGZPJMESA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266891846 1177729698 /nfs/dbraw/zinc/72/96/98/1177729698.db2.gz RQCULUFKPZULOY-ZWKOTPCHSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001266994348 1178052809 /nfs/dbraw/zinc/05/28/09/1178052809.db2.gz LPJIBXPOHPOVHB-ZWKOTPCHSA-N 2 0 341.499 2.496 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001267042184 1178137721 /nfs/dbraw/zinc/13/77/21/1178137721.db2.gz XCSRSCBANMWHRY-ZWKOTPCHSA-N 2 0 331.504 2.102 10 30 EEEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001267196932 1178475638 /nfs/dbraw/zinc/47/56/38/1178475638.db2.gz ODBWNRDFMNCGAT-PKOBYXMFSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001267361942 1178838692 /nfs/dbraw/zinc/83/86/92/1178838692.db2.gz LYULVAQXNGJEOY-RBUKOAKNSA-N 2 0 327.472 2.351 10 30 EEEERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001481121113 1179807049 /nfs/dbraw/zinc/80/70/49/1179807049.db2.gz TXJOVCACQFTNDR-FQEVSTJZSA-N 2 0 341.499 2.208 10 30 EEEERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1Cl ZINC001267829249 1180598473 /nfs/dbraw/zinc/59/84/73/1180598473.db2.gz PLYNTPAGKNKBIK-KRWDZBQOSA-N 2 0 347.890 2.272 10 30 EEEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001481334896 1181059960 /nfs/dbraw/zinc/05/99/60/1181059960.db2.gz BECLEYQNZYVSKU-IEBWSBKVSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH2+][C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001481372520 1181148807 /nfs/dbraw/zinc/14/88/07/1181148807.db2.gz IEYAYBHJOYXPPM-LJQANCHMSA-N 2 0 327.472 2.187 10 30 EEEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001481520006 1181631869 /nfs/dbraw/zinc/63/18/69/1181631869.db2.gz YZPQQXYHOFWNHP-RBUKOAKNSA-N 2 0 331.504 2.197 10 30 EEEERP C#CC[NH2+]CC1(NC(=O)c2ccc(C[NH+](CC)CC)o2)CCCC1 ZINC001481913007 1182936926 /nfs/dbraw/zinc/93/69/26/1182936926.db2.gz LRMBXAJFBDQGKN-UHFFFAOYSA-N 2 0 331.460 2.387 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001482199518 1183877830 /nfs/dbraw/zinc/87/78/30/1183877830.db2.gz GKZXLEXCQRBENJ-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001482367933 1185528341 /nfs/dbraw/zinc/52/83/41/1185528341.db2.gz CINWNEQIXYJSGS-QUCCMNQESA-N 2 0 341.499 2.349 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482692433 1187659620 /nfs/dbraw/zinc/65/96/20/1187659620.db2.gz JKGDJHQMNIQMKF-RTBURBONSA-N 2 0 327.472 2.260 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001482698694 1187668296 /nfs/dbraw/zinc/66/82/96/1187668296.db2.gz RPFQAXBAAPOYBM-MOPGFXCFSA-N 2 0 327.472 2.260 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482860100 1187773682 /nfs/dbraw/zinc/77/36/82/1187773682.db2.gz FLQMDWDTEQSGRT-SFHVURJKSA-N 2 0 341.499 2.397 10 30 EEEERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001409427193 1189660637 /nfs/dbraw/zinc/66/06/37/1189660637.db2.gz WMJCQSUXFIIWAT-KBPBESRZSA-N 2 0 334.439 2.022 10 30 EEEERP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001483616463 1190591861 /nfs/dbraw/zinc/59/18/61/1190591861.db2.gz SBJNKCZCGDNRSC-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001484818952 1191539315 /nfs/dbraw/zinc/53/93/15/1191539315.db2.gz FBYHXXTZIQOHJZ-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485159454 1191673912 /nfs/dbraw/zinc/67/39/12/1191673912.db2.gz XLKYOWQUTDIOJM-CVEARBPZSA-N 2 0 345.462 2.144 10 30 EEEERP C=CCOCC[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001485239527 1191705729 /nfs/dbraw/zinc/70/57/29/1191705729.db2.gz RORYEXPUXWQCKQ-UHFFFAOYSA-N 2 0 349.519 2.177 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001410927670 1198592609 /nfs/dbraw/zinc/59/26/09/1198592609.db2.gz UZGLHRDMQIDVOD-OWCLPIDISA-N 2 0 327.900 2.296 10 30 EEEERP C[NH+](C)CCN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C1CCCC1 ZINC000867976823 1201718459 /nfs/dbraw/zinc/71/84/59/1201718459.db2.gz UQHUAWZTZHDBDM-LJQANCHMSA-N 2 0 340.471 2.078 10 30 EEEERP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001275062497 1205246772 /nfs/dbraw/zinc/24/67/72/1205246772.db2.gz ATBADDXJCNITPG-HSALFYBXSA-N 2 0 339.483 2.254 10 30 EEEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001275695942 1205487988 /nfs/dbraw/zinc/48/79/88/1205487988.db2.gz FKWGGSDOSFVYMN-UHFFFAOYSA-N 2 0 329.488 2.112 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CCC=C)CCCCC2)CC1 ZINC001276244851 1205851845 /nfs/dbraw/zinc/85/18/45/1205851845.db2.gz WGXYTONHTCKZRJ-UHFFFAOYSA-N 2 0 331.504 2.316 10 30 EEEERP CCOCCC[NH+]=C(NCC[NH+]1CCCCC1)NCc1ccccn1 ZINC000075583269 1208768493 /nfs/dbraw/zinc/76/84/93/1208768493.db2.gz HLIFKVRVWZGMOF-UHFFFAOYSA-N 2 0 347.507 2.029 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000900139013 1234042989 /nfs/dbraw/zinc/04/29/89/1234042989.db2.gz VMATUHOOPUPAGM-UHFFFAOYSA-N 2 0 329.488 2.447 10 30 EEEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267888492 1276749519 /nfs/dbraw/zinc/74/95/19/1276749519.db2.gz HAKCLQVQMGADJP-MRXNPFEDSA-N 2 0 339.443 2.285 10 30 EEEERP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001491168859 1299650006 /nfs/dbraw/zinc/65/00/06/1299650006.db2.gz IZYNNDUXBPMUQG-FQEVSTJZSA-N 2 0 341.499 2.208 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001277362144 1302654928 /nfs/dbraw/zinc/65/49/28/1302654928.db2.gz BFEGTWSFJGEADG-KRWDZBQOSA-N 2 0 347.478 2.392 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C[NH2+]CC2CC(C)C2)C2CC2)CC1 ZINC001277735518 1304295860 /nfs/dbraw/zinc/29/58/60/1304295860.db2.gz OYGIOGKLUIARLW-LBXVMSDZSA-N 2 0 345.531 2.204 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001276400413 1314750025 /nfs/dbraw/zinc/75/00/25/1314750025.db2.gz YUMWLZOMKWNWAD-IAGOWNOFSA-N 2 0 342.487 2.369 10 30 EEEERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001276400414 1314750093 /nfs/dbraw/zinc/75/00/93/1314750093.db2.gz YUMWLZOMKWNWAD-IRXDYDNUSA-N 2 0 342.487 2.369 10 30 EEEERP C[N@H+](CCCNC(=O)CC[C@@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001264996848 1322844839 /nfs/dbraw/zinc/84/48/39/1322844839.db2.gz RBDYKSBCNFZSNH-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](Cc1ccccc1C#N)C1CC1 ZINC001265156443 1322954558 /nfs/dbraw/zinc/95/45/58/1322954558.db2.gz ZNMKZMVINQBVGO-IBGZPJMESA-N 2 0 340.471 2.123 10 30 EEEERP C[C@H]([NH2+]CC#Cc1ccccc1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266007206 1323561323 /nfs/dbraw/zinc/56/13/23/1323561323.db2.gz VJKMYHNNVROSRH-AZUAARDMSA-N 2 0 341.499 2.349 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001266225029 1323798154 /nfs/dbraw/zinc/79/81/54/1323798154.db2.gz ICQLCOZRZBPJDQ-INIZCTEOSA-N 2 0 342.443 2.040 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001279598316 1323952907 /nfs/dbraw/zinc/95/29/07/1323952907.db2.gz VTNDVYHZUVZCCK-MOPGFXCFSA-N 2 0 349.519 2.130 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001281670086 1325386326 /nfs/dbraw/zinc/38/63/26/1325386326.db2.gz LUCCHTJYGHLWHQ-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001282957978 1325853473 /nfs/dbraw/zinc/85/34/73/1325853473.db2.gz JWJQEPJGYQMVHS-FHWLQOOXSA-N 2 0 331.504 2.102 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001283213535 1325957567 /nfs/dbraw/zinc/95/75/67/1325957567.db2.gz DVVGHVKORVWUQE-KBXCAEBGSA-N 2 0 346.450 2.166 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001491772627 1330250292 /nfs/dbraw/zinc/25/02/92/1330250292.db2.gz UJBMURNXLJXNPE-IBGZPJMESA-N 2 0 331.504 2.102 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001492021790 1330410555 /nfs/dbraw/zinc/41/05/55/1330410555.db2.gz KGLAQWPTUZNYCR-VQIMIIECSA-N 2 0 342.487 2.415 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001316775334 1331887462 /nfs/dbraw/zinc/88/74/62/1331887462.db2.gz ZYCLXNWSHXKWLH-FQEVSTJZSA-N 2 0 341.499 2.351 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CC/C=C/CC)C2)CC1 ZINC001317863593 1332435230 /nfs/dbraw/zinc/43/52/30/1332435230.db2.gz OCVINOMLHHDADR-OVKVCFKUSA-N 2 0 345.531 2.468 10 30 EEEERP C=CC[NH2+]C[C@@](C)(NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001318712727 1332582292 /nfs/dbraw/zinc/58/22/92/1332582292.db2.gz IUWQPVPTABAUCR-MSOLQXFVSA-N 2 0 325.472 2.259 10 30 EEEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001318906583 1332621076 /nfs/dbraw/zinc/62/10/76/1332621076.db2.gz CDDVGPDOZOKNJP-INIZCTEOSA-N 2 0 327.900 2.442 10 30 EEEERP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC2 ZINC001319142393 1332655946 /nfs/dbraw/zinc/65/59/46/1332655946.db2.gz OYWHFLFGOIKWQQ-QGZVFWFLSA-N 2 0 337.483 2.004 10 30 EEEERP CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001319271381 1332673850 /nfs/dbraw/zinc/67/38/50/1332673850.db2.gz ZUIVVKLPAMZYFF-VQIMIIECSA-N 2 0 347.478 2.105 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001319812306 1332774137 /nfs/dbraw/zinc/77/41/37/1332774137.db2.gz XHMFZMDAFKKMOO-QZTJIDSGSA-N 2 0 331.504 2.102 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320420123 1332879195 /nfs/dbraw/zinc/87/91/95/1332879195.db2.gz FFSKUZIXAOJQOD-JJRVBVJISA-N 2 0 346.450 2.022 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001322530556 1333277518 /nfs/dbraw/zinc/27/75/18/1333277518.db2.gz IDJHWVHFRFOENA-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP O=C(CC[NH+]1CCCCC1)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001323616018 1333498648 /nfs/dbraw/zinc/49/86/48/1333498648.db2.gz GJJZLTQWDKDBLF-UHFFFAOYSA-N 2 0 339.483 2.153 10 30 EEEERP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001325644376 1333931585 /nfs/dbraw/zinc/93/15/85/1333931585.db2.gz VCWQYBLENOQVSA-RDGPPVDQSA-N 2 0 331.504 2.099 10 30 EEEERP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC001326457951 1334097495 /nfs/dbraw/zinc/09/74/95/1334097495.db2.gz DVRKOJDCLBTMRB-UHFFFAOYSA-N 2 0 341.499 2.490 10 30 EEEERP C#CC[N@H+](CC[C@H]1CCOC1)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001330719880 1334890812 /nfs/dbraw/zinc/89/08/12/1334890812.db2.gz FXSQKVFLUKBWCQ-OALUTQOASA-N 2 0 334.504 2.239 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001330896717 1334923082 /nfs/dbraw/zinc/92/30/82/1334923082.db2.gz YQBBBNHXSPTEHN-LPHOPBHVSA-N 2 0 342.487 2.417 10 30 EEEERP C=C(Br)CN(C)CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001479816690 1337399407 /nfs/dbraw/zinc/39/94/07/1337399407.db2.gz XBOZOFHVYKDYTJ-AWEZNQCLSA-N 2 0 346.313 2.208 10 30 EEEERP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001569621793 1342910495 /nfs/dbraw/zinc/91/04/95/1342910495.db2.gz ITMBNCDMXMHRQU-QUCCMNQESA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001676238670 1357124888 /nfs/dbraw/zinc/12/48/88/1357124888.db2.gz IWCHYAMAWJUTQX-LJQANCHMSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCCCC)C[C@H]2C)CC1 ZINC001676782455 1357199460 /nfs/dbraw/zinc/19/94/60/1357199460.db2.gz HGUDYGVVNKWRIZ-IEBWSBKVSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(C)C[NH2+]C[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C(C)(C)C ZINC001677262679 1357303317 /nfs/dbraw/zinc/30/33/17/1357303317.db2.gz BLUPPRGPKFUVPM-INIZCTEOSA-N 2 0 339.524 2.041 10 30 EEEERP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001677612793 1357372654 /nfs/dbraw/zinc/37/26/54/1357372654.db2.gz PYOVKSBOGVZIHI-GOSISDBHSA-N 2 0 349.519 2.202 10 30 EEEERP C=C(C[NH+](C)C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC001629151466 1352548817 /nfs/dbraw/zinc/54/88/17/1352548817.db2.gz JQLCOGNOJJKNGQ-OAHLLOKOSA-N 2 0 331.460 2.464 10 30 EEEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001671240612 1353429639 /nfs/dbraw/zinc/42/96/39/1353429639.db2.gz YMXUESDKVVVMGS-CVEARBPZSA-N 2 0 339.443 2.426 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]C/C=C\Cl)CC1 ZINC001661972086 1354730629 /nfs/dbraw/zinc/73/06/29/1354730629.db2.gz NVYAMGKGMZVXDV-VWTAQGJOSA-N 2 0 337.895 2.055 10 30 EEEERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001662394586 1354790416 /nfs/dbraw/zinc/79/04/16/1354790416.db2.gz LYYPSOBDYNJVIG-MAUKXSAKSA-N 2 0 349.906 2.372 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001669930539 1356242616 /nfs/dbraw/zinc/24/26/16/1356242616.db2.gz OJLLFVBKZLFVEP-ROUUACIJSA-N 2 0 335.536 2.450 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001672796889 1356586369 /nfs/dbraw/zinc/58/63/69/1356586369.db2.gz YCQSXQZVBJYAPC-MOPGFXCFSA-N 2 0 345.531 2.493 10 30 EEEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001672925061 1356616515 /nfs/dbraw/zinc/61/65/15/1356616515.db2.gz OVMLOLZAWSTZKL-IBGZPJMESA-N 2 0 327.472 2.242 10 30 EEEERP CC#CC[N@@H+]1CCc2c(CNC(=O)C3(C[NH+](C)C)CC3)cccc2C1 ZINC001673079719 1356644612 /nfs/dbraw/zinc/64/46/12/1356644612.db2.gz LSXIUYOOMBUVCJ-UHFFFAOYSA-N 2 0 339.483 2.026 10 30 EEEERP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001674271737 1356810292 /nfs/dbraw/zinc/81/02/92/1356810292.db2.gz MGXNEXHBTFAVSU-YLJYHZDGSA-N 2 0 339.483 2.067 10 30 EEEERP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001674429323 1356830381 /nfs/dbraw/zinc/83/03/81/1356830381.db2.gz DTUYYYSSHOJJFG-TZIWHRDSSA-N 2 0 339.483 2.258 10 30 EEEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001675327991 1356965840 /nfs/dbraw/zinc/96/58/40/1356965840.db2.gz ZQGWMHKRDHDSBC-HNNXBMFYSA-N 2 0 339.443 2.284 10 30 EEEERP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001698948366 1405178756 /nfs/dbraw/zinc/17/87/56/1405178756.db2.gz VTKNBMDYJZOLMM-APWZRJJASA-N 2 0 327.472 2.212 10 30 EEEERP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001698948369 1405178859 /nfs/dbraw/zinc/17/88/59/1405178859.db2.gz VTKNBMDYJZOLMM-QFBILLFUSA-N 2 0 327.472 2.212 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001699113265 1405267985 /nfs/dbraw/zinc/26/79/85/1405267985.db2.gz PJNXHUUZJGYXDP-SFHVURJKSA-N 2 0 339.483 2.151 10 30 EEEERP CCCCCCC[NH+]1CCC(C)(NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001699771874 1405479133 /nfs/dbraw/zinc/47/91/33/1405479133.db2.gz PIXVSZFUKAMPHK-QGZVFWFLSA-N 2 0 339.524 2.258 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CCCC1 ZINC001699797019 1405489606 /nfs/dbraw/zinc/48/96/06/1405489606.db2.gz SASHRBWYBZJILB-QFBILLFUSA-N 2 0 337.483 2.097 10 30 EEEERP C#CCN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000923404179 789505677 /nfs/dbraw/zinc/50/56/77/789505677.db2.gz WQMUSHZHXCZOPF-LJQANCHMSA-N 2 0 346.519 2.132 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001448775898 1093854626 /nfs/dbraw/zinc/85/46/26/1093854626.db2.gz SOYVJLUEKKKKCU-LLVKDONJSA-N 2 0 343.269 2.032 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC001440620162 1093888057 /nfs/dbraw/zinc/88/80/57/1093888057.db2.gz KYKYTIPJOUGVGV-SFHVURJKSA-N 2 0 342.487 2.227 10 30 EEEERP C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2C#N)CCN1C(=O)CCC[NH+](C)C ZINC001441826906 1095873964 /nfs/dbraw/zinc/87/39/64/1095873964.db2.gz QTHCIPRJHMHAQV-RDTXWAMCSA-N 2 0 346.450 2.118 10 30 EEEERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1cc(F)ccc1C#N ZINC001444317887 1098880309 /nfs/dbraw/zinc/88/03/09/1098880309.db2.gz GHOSMTHZNIJZLU-CQSZACIVSA-N 2 0 346.450 2.024 10 30 EEEERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001444331062 1098895665 /nfs/dbraw/zinc/89/56/65/1098895665.db2.gz XWKYXXHZEHYGKI-RDTXWAMCSA-N 2 0 346.450 2.024 10 30 EEEERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001444829363 1099777106 /nfs/dbraw/zinc/77/71/06/1099777106.db2.gz QZQNWMFUYPENGV-WMLDXEAASA-N 2 0 348.516 2.288 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CC[C@H](C)F)CC1 ZINC001480368485 1100144951 /nfs/dbraw/zinc/14/49/51/1100144951.db2.gz YFUOOYJPNADTFX-FUHWJXTLSA-N 2 0 337.483 2.050 10 30 EEEERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]Cc1ccccc1C#N ZINC001495719833 1101482721 /nfs/dbraw/zinc/48/27/21/1101482721.db2.gz NIXKUXZQRYUEOD-INIZCTEOSA-N 2 0 342.487 2.275 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001495858160 1101683023 /nfs/dbraw/zinc/68/30/23/1101683023.db2.gz ZZLRIDOXIPDGMT-QGZVFWFLSA-N 2 0 342.443 2.040 10 30 EEEERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001497312233 1102297690 /nfs/dbraw/zinc/29/76/90/1102297690.db2.gz NWDZIZCPEVTNKZ-KBXCAEBGSA-N 2 0 348.466 2.268 10 30 EEEERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(C#N)s1 ZINC001493877336 1103015782 /nfs/dbraw/zinc/01/57/82/1103015782.db2.gz WLBQAZGRXYAKOP-OAHLLOKOSA-N 2 0 348.516 2.288 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001493907122 1103099976 /nfs/dbraw/zinc/09/99/76/1103099976.db2.gz WOZQIUVDABOJBV-LJQANCHMSA-N 2 0 327.472 2.333 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001447777442 1103302095 /nfs/dbraw/zinc/30/20/95/1103302095.db2.gz VZSQJWCGGZKCPQ-KRWDZBQOSA-N 2 0 346.450 2.072 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001498048404 1106835160 /nfs/dbraw/zinc/83/51/60/1106835160.db2.gz GBHPMOKOQPYAGA-KSSFIOAISA-N 2 0 346.450 2.166 10 30 EEEERP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001493240731 1107753646 /nfs/dbraw/zinc/75/36/46/1107753646.db2.gz UJLVUHGRKNRIQF-MAUKXSAKSA-N 2 0 325.472 2.213 10 30 EEEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001500523122 1112915262 /nfs/dbraw/zinc/91/52/62/1112915262.db2.gz RCOOCLWILFOWBH-OALUTQOASA-N 2 0 337.483 2.050 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@H](C[NH2+]CCC=C)CC2)CC1 ZINC001501189992 1113234792 /nfs/dbraw/zinc/23/47/92/1113234792.db2.gz KQSFEXMDWVXYDI-WGSAOQKQSA-N 2 0 345.531 2.420 10 30 EEEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001501746887 1113460514 /nfs/dbraw/zinc/46/05/14/1113460514.db2.gz VNJRTNFQUWIEQG-KRWDZBQOSA-N 2 0 331.504 2.361 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CC(=C)Cl)CC1 ZINC001505411654 1113945616 /nfs/dbraw/zinc/94/56/16/1113945616.db2.gz YHRJKRVYPVPVOM-KRWDZBQOSA-N 2 0 337.895 2.055 10 30 EEEERP C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001505761161 1114175329 /nfs/dbraw/zinc/17/53/29/1114175329.db2.gz QMVFOEIYNXESFJ-SJORKVTESA-N 2 0 342.487 2.417 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC001568113472 1124309003 /nfs/dbraw/zinc/30/90/03/1124309003.db2.gz KGMVAMXZSMCBJO-MXVIHJGJSA-N 2 0 341.499 2.397 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001568407690 1124477090 /nfs/dbraw/zinc/47/70/90/1124477090.db2.gz TUDDXZNWUVSRMA-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001569163463 1125137494 /nfs/dbraw/zinc/13/74/94/1125137494.db2.gz JICGNOXCPCLZAZ-ROUUACIJSA-N 2 0 333.520 2.396 10 30 EEEERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000564793153 319110365 /nfs/dbraw/zinc/11/03/65/319110365.db2.gz OLPURUXMMSPBLR-DAWZGUTISA-N 2 0 331.460 2.008 10 30 EEEERP O=C(C[NH2+][C@@H]1CCC(=O)NC12CCC2)NC1CC[NH+](C2CC2)CC1 ZINC000328690773 465102160 /nfs/dbraw/zinc/10/21/60/465102160.db2.gz IMATYWOYNGTWAD-OAHLLOKOSA-N 2 0 334.464 2.201 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCNC[C@@](C)(F)C1)C(C)C ZINC000417059526 466767423 /nfs/dbraw/zinc/76/74/23/466767423.db2.gz IOUYSUBXVMPXBE-FUHWJXTLSA-N 2 0 340.487 2.028 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000417066715 466769266 /nfs/dbraw/zinc/76/92/66/466769266.db2.gz QZRLUGVTHJJCDK-UYAOXDASSA-N 2 0 348.535 2.470 10 30 EEEERP COC[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452110455 467325991 /nfs/dbraw/zinc/32/59/91/467325991.db2.gz ZDGHQABPVXFFAR-PMACEKPBSA-N 2 0 336.520 2.487 10 30 EEEERP Cc1cc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ccc1C#N ZINC000443996420 467581369 /nfs/dbraw/zinc/58/13/69/467581369.db2.gz UPUFFYHDKALXLT-SFHVURJKSA-N 2 0 330.476 2.049 10 30 EEEERP CCc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+](C)C)cc1 ZINC000594446448 468592400 /nfs/dbraw/zinc/59/24/00/468592400.db2.gz TVTMWTQTPAHWGX-MSOLQXFVSA-N 2 0 330.476 2.379 10 30 EEEERP CCN(CC)C(=[NH2+])NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000305736664 687094869 /nfs/dbraw/zinc/09/48/69/687094869.db2.gz UAXDIMGBRWPLPJ-UHFFFAOYSA-N 2 0 343.519 2.375 10 30 EEEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001272700462 1191863551 /nfs/dbraw/zinc/86/35/51/1191863551.db2.gz JQBZQPUSQRTKKZ-DLBZAZTESA-N 2 0 327.472 2.319 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485715389 1191906590 /nfs/dbraw/zinc/90/65/90/1191906590.db2.gz YKSNDLITNWAQFW-YJBOKZPZSA-N 2 0 328.460 2.027 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266567656 1176859256 /nfs/dbraw/zinc/85/92/56/1176859256.db2.gz MYIWAJOXFBEDGZ-PMACEKPBSA-N 2 0 339.483 2.103 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001691308926 1177879206 /nfs/dbraw/zinc/87/92/06/1177879206.db2.gz IRFBUHWJIAFLMA-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267298814 1178708774 /nfs/dbraw/zinc/70/87/74/1178708774.db2.gz SNMCAHWALYRDTD-INIZCTEOSA-N 2 0 339.443 2.285 10 30 EEEERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC#Cc1ccccc1 ZINC001481811503 1182739386 /nfs/dbraw/zinc/73/93/86/1182739386.db2.gz TUMNFFURNIRUBI-PMACEKPBSA-N 2 0 341.499 2.395 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]Cc2ccc(F)cc2)CC1 ZINC001268956964 1183850572 /nfs/dbraw/zinc/85/05/72/1183850572.db2.gz BTUHJFPIISEGPS-UHFFFAOYSA-N 2 0 345.462 2.109 10 30 EEEERP C=CCOCCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001269278849 1184130292 /nfs/dbraw/zinc/13/02/92/1184130292.db2.gz QDPFQCWVZMESQN-RBUKOAKNSA-N 2 0 349.519 2.177 10 30 EEEERP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001270569866 1185178564 /nfs/dbraw/zinc/17/85/64/1185178564.db2.gz ZZPZADJWCAKWNF-YJBOKZPZSA-N 2 0 349.906 2.374 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC001483914823 1191114964 /nfs/dbraw/zinc/11/49/64/1191114964.db2.gz RMTCKNHEJVQHDS-QFBILLFUSA-N 2 0 342.487 2.368 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2cc(F)ccc2C#N)C1 ZINC001484065688 1191185880 /nfs/dbraw/zinc/18/58/80/1191185880.db2.gz YIKJKGMXSZWGIY-LJQANCHMSA-N 2 0 346.450 2.120 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001484167191 1191254696 /nfs/dbraw/zinc/25/46/96/1191254696.db2.gz PYVWEUPUYNXZOP-HXUWFJFHSA-N 2 0 342.487 2.228 10 30 EEEERP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001484401560 1191335619 /nfs/dbraw/zinc/33/56/19/1191335619.db2.gz OTIDMVRGJXURDD-UHFFFAOYSA-N 2 0 347.890 2.453 10 30 EEEERP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001484715399 1191480294 /nfs/dbraw/zinc/48/02/94/1191480294.db2.gz OUEDKMOKIAEMEA-GJZGRUSLSA-N 2 0 333.879 2.390 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001484992633 1191609344 /nfs/dbraw/zinc/60/93/44/1191609344.db2.gz KGLAQWPTUZNYCR-LPHOPBHVSA-N 2 0 342.487 2.415 10 30 EEEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001486234965 1193787226 /nfs/dbraw/zinc/78/72/26/1193787226.db2.gz PFZOCKDTVROQJZ-QZTJIDSGSA-N 2 0 331.504 2.243 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273019247 1194326374 /nfs/dbraw/zinc/32/63/74/1194326374.db2.gz TYHBXOBYEMDAHR-GJZGRUSLSA-N 2 0 346.450 2.024 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)C(C)C ZINC000875087454 1199133396 /nfs/dbraw/zinc/13/33/96/1199133396.db2.gz MMLIEPPNKDPSCH-GBESFXJTSA-N 2 0 348.535 2.421 10 30 EEEERP C=CCCC(C)(C)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875979969 1199458712 /nfs/dbraw/zinc/45/87/12/1199458712.db2.gz JWKSTFZFQTWKHH-IAGOWNOFSA-N 2 0 338.540 2.360 10 30 EEEERP C=CCOc1ccccc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877668804 1200018801 /nfs/dbraw/zinc/01/88/01/1200018801.db2.gz NVDKCBFLJDLHMK-RTBURBONSA-N 2 0 331.504 2.423 10 30 EEEERP C[NH+](C)CC[C@H](NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C(C)(C)C ZINC000867962361 1201716296 /nfs/dbraw/zinc/71/62/96/1201716296.db2.gz OZHZSDPYGSPRQY-ROUUACIJSA-N 2 0 342.487 2.228 10 30 EEEERP C=CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1Cc2ccccc2O1 ZINC000883176078 1202025943 /nfs/dbraw/zinc/02/59/43/1202025943.db2.gz VBIXYEYTBARRKO-WSTZPKSXSA-N 2 0 330.472 2.371 10 30 EEEERP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001275071434 1205248836 /nfs/dbraw/zinc/24/88/36/1205248836.db2.gz BQIKPYMRWNXWNW-SMMRIJLZSA-N 2 0 339.483 2.112 10 30 EEEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001490829971 1205915966 /nfs/dbraw/zinc/91/59/66/1205915966.db2.gz BFWMXTQMTOJMHA-IRXDYDNUSA-N 2 0 330.476 2.382 10 30 EEEERP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903726697 1241733010 /nfs/dbraw/zinc/73/30/10/1241733010.db2.gz NEOXBPMHCOOYHC-ROUUACIJSA-N 2 0 331.416 2.351 10 30 EEEERP CC#CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@H]1C ZINC001691745160 1257132942 /nfs/dbraw/zinc/13/29/42/1257132942.db2.gz SCKRIFVIEITSGK-NEWSRXKRSA-N 2 0 327.472 2.282 10 30 EEEERP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001273823957 1286464293 /nfs/dbraw/zinc/46/42/93/1286464293.db2.gz FWVQTKXNKCHAFE-LJQANCHMSA-N 2 0 329.488 2.447 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001489097155 1290368651 /nfs/dbraw/zinc/36/86/51/1290368651.db2.gz UMQPVCKWHGZOOM-ZIAGYGMSSA-N 2 0 335.414 2.131 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001493146140 1290568675 /nfs/dbraw/zinc/56/86/75/1290568675.db2.gz CZEQYPMXSHWVLG-DLBZAZTESA-N 2 0 337.508 2.033 10 30 EEEERP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001490761356 1291690930 /nfs/dbraw/zinc/69/09/30/1291690930.db2.gz BABVQGYXVSQNAW-OALUTQOASA-N 2 0 333.520 2.301 10 30 EEEERP C=CC[C@@]1(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000852866156 1292220780 /nfs/dbraw/zinc/22/07/80/1292220780.db2.gz TUMRYKMPUUNEMY-IBGZPJMESA-N 2 0 331.460 2.288 10 30 EEEERP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001276717346 1296712596 /nfs/dbraw/zinc/71/25/96/1296712596.db2.gz OPLMJVFZPSNGBC-OWZKRDHZSA-N 2 0 341.499 2.031 10 30 EEEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COC1CC[NH+](C)CC1 ZINC001277359746 1302639804 /nfs/dbraw/zinc/63/98/04/1302639804.db2.gz HQZWIWLSBNNIGY-MSOLQXFVSA-N 2 0 349.519 2.129 10 30 EEEERP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001277474048 1303556100 /nfs/dbraw/zinc/55/61/00/1303556100.db2.gz MRQKEEHOJNPVJL-FQEVSTJZSA-N 2 0 331.504 2.200 10 30 EEEERP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001278184062 1306209155 /nfs/dbraw/zinc/20/91/55/1306209155.db2.gz GWZPWCFAAVGAEF-DLBZAZTESA-N 2 0 337.483 2.003 10 30 EEEERP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001266229607 1323806682 /nfs/dbraw/zinc/80/66/82/1323806682.db2.gz JWNLFOBAWGVPBZ-MRXNPFEDSA-N 2 0 339.443 2.428 10 30 EEEERP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001266232205 1323812418 /nfs/dbraw/zinc/81/24/18/1323812418.db2.gz UNTUJZIFWTZACY-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(F)c1 ZINC001279710390 1323984054 /nfs/dbraw/zinc/98/40/54/1323984054.db2.gz RBEACDNYQSIFBT-SFHVURJKSA-N 2 0 345.462 2.429 10 30 EEEERP C=CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCc3ccccc3)C2)CC1 ZINC001280391784 1324196047 /nfs/dbraw/zinc/19/60/47/1324196047.db2.gz FJGPDJFLMNAQNN-UHFFFAOYSA-N 2 0 341.499 2.271 10 30 EEEERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001283630381 1326171081 /nfs/dbraw/zinc/17/10/81/1326171081.db2.gz CTNFIMCKYPTPSZ-QFBILLFUSA-N 2 0 345.462 2.098 10 30 EEEERP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001284148080 1326435130 /nfs/dbraw/zinc/43/51/30/1326435130.db2.gz DWQCCFVCOKAYSY-RTBURBONSA-N 2 0 329.488 2.364 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+][C@H](C)CCC=C)C2)CC1 ZINC001284819174 1326727993 /nfs/dbraw/zinc/72/79/93/1326727993.db2.gz UNUSAEPMAYYHAY-IPJUCJBFSA-N 2 0 331.504 2.265 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001317355501 1332192288 /nfs/dbraw/zinc/19/22/88/1332192288.db2.gz CYWJFMSZTDKPLZ-IAGOWNOFSA-N 2 0 337.508 2.080 10 30 EEEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001317681481 1332368498 /nfs/dbraw/zinc/36/84/98/1332368498.db2.gz NOIIQTZPIKJSGV-QGZVFWFLSA-N 2 0 333.520 2.347 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319285716 1332675305 /nfs/dbraw/zinc/67/53/05/1332675305.db2.gz PHXZTEUTMJGZHL-QUCCMNQESA-N 2 0 341.499 2.254 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC(C)C)[C@H](C)C2)CC1 ZINC001319710856 1332747765 /nfs/dbraw/zinc/74/77/65/1332747765.db2.gz NGLKGFAJQVVIPZ-MJGOQNOKSA-N 2 0 333.520 2.204 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)C12CCC[NH+]1CCC2 ZINC001320781772 1332952097 /nfs/dbraw/zinc/95/20/97/1332952097.db2.gz LMUHLUPWHTVMIR-UHFFFAOYSA-N 2 0 339.483 2.105 10 30 EEEERP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001323637102 1333504017 /nfs/dbraw/zinc/50/40/17/1333504017.db2.gz JCKWVPAYVRNWDH-LJQANCHMSA-N 2 0 333.520 2.302 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001324879938 1333779291 /nfs/dbraw/zinc/77/92/91/1333779291.db2.gz HFRNQFKZGLXHBT-SFHVURJKSA-N 2 0 333.520 2.350 10 30 EEEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001324974950 1333800413 /nfs/dbraw/zinc/80/04/13/1333800413.db2.gz CQXXVCDXMDCYMJ-AZUAARDMSA-N 2 0 333.520 2.348 10 30 EEEERP C[C@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001325437861 1333886051 /nfs/dbraw/zinc/88/60/51/1333886051.db2.gz MEATZXAYTGRDOK-AZUAARDMSA-N 2 0 341.499 2.207 10 30 EEEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001326470224 1334099832 /nfs/dbraw/zinc/09/98/32/1334099832.db2.gz ZAUUISKNUNEAED-VQIMIIECSA-N 2 0 327.472 2.459 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309796 1334264348 /nfs/dbraw/zinc/26/43/48/1334264348.db2.gz YCBNNSRIJBCFAW-MOPGFXCFSA-N 2 0 345.531 2.445 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328098612 1334395912 /nfs/dbraw/zinc/39/59/12/1334395912.db2.gz PDBJRPPIDPQCRW-QZTJIDSGSA-N 2 0 333.520 2.347 10 30 EEEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001331362687 1335002818 /nfs/dbraw/zinc/00/28/18/1335002818.db2.gz URCCJBSSHKJDKL-LJQANCHMSA-N 2 0 327.472 2.212 10 30 EEEERP CC[C@H](C(=O)NC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1)[NH+](C)C ZINC001566713779 1342611614 /nfs/dbraw/zinc/61/16/14/1342611614.db2.gz COCCNPAIAZWGFW-RTBURBONSA-N 2 0 345.462 2.002 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001570009838 1342998240 /nfs/dbraw/zinc/99/82/40/1342998240.db2.gz OSKLCDLOOXRWLL-SFHVURJKSA-N 2 0 327.472 2.213 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001570640421 1343096417 /nfs/dbraw/zinc/09/64/17/1343096417.db2.gz AIYKGXDDQFSMMH-HOTGVXAUSA-N 2 0 333.451 2.002 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001570640420 1343096608 /nfs/dbraw/zinc/09/66/08/1343096608.db2.gz AIYKGXDDQFSMMH-CVEARBPZSA-N 2 0 333.451 2.002 10 30 EEEERP C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001571405400 1343205425 /nfs/dbraw/zinc/20/54/25/1343205425.db2.gz GAWBKOZNKBMGBF-SFHVURJKSA-N 2 0 343.515 2.453 10 30 EEEERP C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001571405399 1343205639 /nfs/dbraw/zinc/20/56/39/1343205639.db2.gz GAWBKOZNKBMGBF-GOSISDBHSA-N 2 0 343.515 2.453 10 30 EEEERP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001676784490 1357199751 /nfs/dbraw/zinc/19/97/51/1357199751.db2.gz VZJRFGVDMVMCKU-JKSUJKDBSA-N 2 0 331.460 2.337 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001676976298 1357253739 /nfs/dbraw/zinc/25/37/39/1357253739.db2.gz VNBQSSFJQADFPW-IEBWSBKVSA-N 2 0 331.504 2.006 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001677049271 1357270610 /nfs/dbraw/zinc/27/06/10/1357270610.db2.gz XMXWJQDSWXWHRK-ZIAGYGMSSA-N 2 0 347.425 2.273 10 30 EEEERP C=CCOCC[NH+]1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001660787740 1354538518 /nfs/dbraw/zinc/53/85/18/1354538518.db2.gz SQYGKMGVSGQKOU-UHFFFAOYSA-N 2 0 339.524 2.090 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001667176710 1355664792 /nfs/dbraw/zinc/66/47/92/1355664792.db2.gz PXHLAIOOEQUARK-HOCLYGCPSA-N 2 0 333.501 2.273 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668309107 1355920145 /nfs/dbraw/zinc/92/01/45/1355920145.db2.gz DIUNYWNPKNNRGX-DOTOQJQBSA-N 2 0 347.890 2.128 10 30 EEEERP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)CC1CC[NH+](C)CC1 ZINC001668574016 1355965856 /nfs/dbraw/zinc/96/58/56/1355965856.db2.gz FTHNIBSLAMULOP-UHFFFAOYSA-N 2 0 342.487 2.228 10 30 EEEERP C[N@H+](CC(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001669039027 1356074318 /nfs/dbraw/zinc/07/43/18/1356074318.db2.gz ISNKINMSAIZGLR-WAYWQWQTSA-N 2 0 342.487 2.298 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CCC2=CCCCC2)CC1 ZINC001669206961 1356124830 /nfs/dbraw/zinc/12/48/30/1356124830.db2.gz IKZYTNLJBHCAEB-SREVYHEPSA-N 2 0 343.515 2.484 10 30 EEEERP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001672356565 1356508574 /nfs/dbraw/zinc/50/85/74/1356508574.db2.gz XLZVGPQZLDSCGE-YRPNKDGESA-N 2 0 345.531 2.489 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)CC#Cc1ccc(F)cc1 ZINC001673492137 1356696398 /nfs/dbraw/zinc/69/63/98/1356696398.db2.gz XOXNIORKEWOZJS-UHFFFAOYSA-N 2 0 347.478 2.298 10 30 EEEERP C=C(C)C[NH2+]CC1CC(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001674583210 1356860926 /nfs/dbraw/zinc/86/09/26/1356860926.db2.gz KENPZPBSHPWHMD-UHFFFAOYSA-N 2 0 329.488 2.465 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001675948015 1357075513 /nfs/dbraw/zinc/07/55/13/1357075513.db2.gz NVDCPXVKONUEJL-RDTXWAMCSA-N 2 0 346.450 2.166 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](CCC=C)C2)CC1 ZINC001691866942 1404953656 /nfs/dbraw/zinc/95/36/56/1404953656.db2.gz KFPFJRUEPWIIDR-IBGZPJMESA-N 2 0 331.504 2.221 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)CC2(C)C)CC1 ZINC000941238529 780226083 /nfs/dbraw/zinc/22/60/83/780226083.db2.gz YOIVNPFFSBJYJG-LJQANCHMSA-N 2 0 345.531 2.348 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000913429094 788868406 /nfs/dbraw/zinc/86/84/06/788868406.db2.gz NBIAJDMCPIYHBE-IEBWSBKVSA-N 2 0 329.488 2.379 10 30 EEEERP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC(C)(C)C1 ZINC001566131341 1125584348 /nfs/dbraw/zinc/58/43/48/1125584348.db2.gz KPQZEEKFCSGRKI-KRWDZBQOSA-N 2 0 339.524 2.136 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)Cc2ccccc2C)CC1 ZINC001566519925 1125692029 /nfs/dbraw/zinc/69/20/29/1125692029.db2.gz KNYPDLMSGPNWKG-UHFFFAOYSA-N 2 0 341.499 2.278 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001437024968 1088819724 /nfs/dbraw/zinc/81/97/24/1088819724.db2.gz VYDDRKLVFBAPST-RDJZCZTQSA-N 2 0 325.884 2.053 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001439323748 1092000007 /nfs/dbraw/zinc/00/00/07/1092000007.db2.gz GIRSXMWMNMSJON-AYOQOUSVSA-N 2 0 342.487 2.225 10 30 EEEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001439895355 1092955603 /nfs/dbraw/zinc/95/56/03/1092955603.db2.gz XFUCGQYEUYVUIL-WBVHZDCISA-N 2 0 327.900 2.442 10 30 EEEERP C=C(Br)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001449072178 1094086531 /nfs/dbraw/zinc/08/65/31/1094086531.db2.gz BGCWNJJWOCNWHF-ZDUSSCGKSA-N 2 0 346.313 2.062 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC001441831441 1095885242 /nfs/dbraw/zinc/88/52/42/1095885242.db2.gz HNNIXAKLKWRJES-WMLDXEAASA-N 2 0 346.450 2.117 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001441903448 1096066534 /nfs/dbraw/zinc/06/65/34/1096066534.db2.gz UESJFFAIJYXGHP-RTBURBONSA-N 2 0 342.487 2.273 10 30 EEEERP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479594930 1098623956 /nfs/dbraw/zinc/62/39/56/1098623956.db2.gz GOCSPMJCNUBCKU-IEBWSBKVSA-N 2 0 333.520 2.491 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC001495232899 1100922717 /nfs/dbraw/zinc/92/27/17/1100922717.db2.gz KBSXIOXUMBJWJK-AZUAARDMSA-N 2 0 340.471 2.027 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001496081033 1102022642 /nfs/dbraw/zinc/02/26/42/1102022642.db2.gz KHZUKUPQFXZDHI-QFBILLFUSA-N 2 0 342.487 2.369 10 30 EEEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001494081731 1103493169 /nfs/dbraw/zinc/49/31/69/1103493169.db2.gz BWQHUBCQZFWXDS-KRWDZBQOSA-N 2 0 327.472 2.213 10 30 EEEERP CCCC[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001448244603 1104236652 /nfs/dbraw/zinc/23/66/52/1104236652.db2.gz GKLFXDBZXLYSFM-MOPGFXCFSA-N 2 0 342.487 2.417 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001480597515 1106736261 /nfs/dbraw/zinc/73/62/61/1106736261.db2.gz QJLBTVPDKQQAQF-JKSUJKDBSA-N 2 0 345.462 2.326 10 30 EEEERP C=C(Br)C[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001493748768 1108620105 /nfs/dbraw/zinc/62/01/05/1108620105.db2.gz RUKSAYPWADDBOO-UHFFFAOYSA-N 2 0 346.313 2.063 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001499846716 1112510913 /nfs/dbraw/zinc/51/09/13/1112510913.db2.gz ANGOXQKFNOYHLR-LPHOPBHVSA-N 2 0 327.472 2.354 10 30 EEEERP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001506958325 1115005870 /nfs/dbraw/zinc/00/58/70/1115005870.db2.gz DBEXCFFLPWMZNI-IBGZPJMESA-N 2 0 331.504 2.340 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001568363052 1124438815 /nfs/dbraw/zinc/43/88/15/1124438815.db2.gz NUIJPBMLWUREBA-HKUYNNGSSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568919907 1124947491 /nfs/dbraw/zinc/94/74/91/1124947491.db2.gz LAIIQHUJSLLVMA-OGZRUICASA-N 2 0 331.863 2.213 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001569202020 1125161441 /nfs/dbraw/zinc/16/14/41/1125161441.db2.gz RTBSWMFVNFGWRM-KRWDZBQOSA-N 2 0 348.516 2.431 10 30 EEEERP COc1cc(C#N)ccc1CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000120904661 463052883 /nfs/dbraw/zinc/05/28/83/463052883.db2.gz ZIVZJDYPXNGWQF-LJQANCHMSA-N 2 0 342.487 2.169 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000594440867 468589330 /nfs/dbraw/zinc/58/93/30/468589330.db2.gz IUHPIHIUIBDACO-LJQANCHMSA-N 2 0 342.487 2.221 10 30 EEEERP C[N@H+](CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000600717540 468631889 /nfs/dbraw/zinc/63/18/89/468631889.db2.gz MTNYUKZQGMYHEU-SFHVURJKSA-N 2 0 337.508 2.302 10 30 EEEERP C=CC[C@@]1(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662717188 472220478 /nfs/dbraw/zinc/22/04/78/472220478.db2.gz LSWKWIBQAVWHAZ-FQEVSTJZSA-N 2 0 345.487 2.332 10 30 EEEERP CN(CCC[NH+](C)C)CCNc1c(C#N)cnc2c(F)ccc(F)c21 ZINC000596424302 485612558 /nfs/dbraw/zinc/61/25/58/485612558.db2.gz HAIIWOUTKXSPTR-UHFFFAOYSA-N 2 0 347.413 2.102 10 30 EEEERP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000262371932 685683509 /nfs/dbraw/zinc/68/35/09/685683509.db2.gz ISOKGKDVFCLIAN-TWMKSMIVSA-N 2 0 336.524 2.182 10 30 EEEERP CCCNC(=[NH2+])NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000305741519 687096050 /nfs/dbraw/zinc/09/60/50/687096050.db2.gz ZYCOUHAVQHLVTL-UHFFFAOYSA-N 2 0 329.492 2.033 10 30 EEEERP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001485658519 1191878567 /nfs/dbraw/zinc/87/85/67/1191878567.db2.gz VQYJDKLNKDBJTR-SLFFLAALSA-N 2 0 345.531 2.493 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CC ZINC001670582064 1176925604 /nfs/dbraw/zinc/92/56/04/1176925604.db2.gz QCHZRQKCUQQFCK-MSOLQXFVSA-N 2 0 331.504 2.102 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001267042182 1178137569 /nfs/dbraw/zinc/13/75/69/1178137569.db2.gz XCSRSCBANMWHRY-QZTJIDSGSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2cc(C)sc2C)CC1 ZINC001480950614 1179104878 /nfs/dbraw/zinc/10/48/78/1179104878.db2.gz KWKIBSOOVLOGLB-UHFFFAOYSA-N 2 0 347.528 2.258 10 30 EEEERP C[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCCCC1 ZINC001481287799 1180869285 /nfs/dbraw/zinc/86/92/85/1180869285.db2.gz OBNGKJIZFNMVEE-QGZVFWFLSA-N 2 0 342.487 2.371 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001481317443 1181017949 /nfs/dbraw/zinc/01/79/49/1181017949.db2.gz FPSPUJYDVPRZCQ-UHFFFAOYSA-N 2 0 349.478 2.462 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001268024572 1181036009 /nfs/dbraw/zinc/03/60/09/1181036009.db2.gz IQJZIDODPAMTSY-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001268181315 1181965847 /nfs/dbraw/zinc/96/58/47/1181965847.db2.gz WLMJJIXZFOUGJM-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001481824205 1182745074 /nfs/dbraw/zinc/74/50/74/1182745074.db2.gz QMBXVUVFDJLEGV-RBUKOAKNSA-N 2 0 327.472 2.007 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481988991 1183093939 /nfs/dbraw/zinc/09/39/39/1183093939.db2.gz WLELPPFYKZKDIG-HOTGVXAUSA-N 2 0 327.900 2.299 10 30 EEEERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC#Cc1ccccc1Cl ZINC001482085310 1183314017 /nfs/dbraw/zinc/31/40/17/1183314017.db2.gz OFNRHLNKYMAIMM-QAPCUYQASA-N 2 0 347.890 2.128 10 30 EEEERP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482109678 1183339760 /nfs/dbraw/zinc/33/97/60/1183339760.db2.gz HIASCWMBTBIYMQ-OCCSQVGLSA-N 2 0 346.313 2.111 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001268673488 1183600648 /nfs/dbraw/zinc/60/06/48/1183600648.db2.gz GNDXJWCUFXKXRE-SJORKVTESA-N 2 0 327.472 2.187 10 30 EEEERP C=CCOCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001268763413 1183678474 /nfs/dbraw/zinc/67/84/74/1183678474.db2.gz LSZLDFQJWJUIIM-MSOLQXFVSA-N 2 0 349.519 2.082 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001482437383 1185715580 /nfs/dbraw/zinc/71/55/80/1185715580.db2.gz NTNCTEGOIWSQCC-QFBILLFUSA-N 2 0 327.472 2.212 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001691570535 1188271346 /nfs/dbraw/zinc/27/13/46/1188271346.db2.gz ISOVPQSCTBJEDN-KURKYZTESA-N 2 0 333.520 2.463 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001483096198 1188470357 /nfs/dbraw/zinc/47/03/57/1188470357.db2.gz AGWMTGVHGFMYJV-ZEVQVBBLSA-N 2 0 339.483 2.355 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001272844345 1193573933 /nfs/dbraw/zinc/57/39/33/1193573933.db2.gz DEDGATXPHJHGLU-KDOFPFPSSA-N 2 0 348.466 2.268 10 30 EEEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001691661393 1193611571 /nfs/dbraw/zinc/61/15/71/1193611571.db2.gz RZGQNYUUNFNPLI-IRXDYDNUSA-N 2 0 330.476 2.253 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC/C=C\CC)C[C@@H]3C2)CC1 ZINC001484415058 1191341790 /nfs/dbraw/zinc/34/17/90/1191341790.db2.gz MSGZJGADCUZNFX-GGJLBNBESA-N 2 0 343.515 2.078 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCn2ccnc2C)C(C)(C)C1 ZINC001484940946 1191586750 /nfs/dbraw/zinc/58/67/50/1191586750.db2.gz SZFVFBHCLKQFSV-KRWDZBQOSA-N 2 0 330.476 2.212 10 30 EEEERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001485183132 1191680059 /nfs/dbraw/zinc/68/00/59/1191680059.db2.gz ZPEHBVQPEWTVGS-KBPBESRZSA-N 2 0 348.516 2.477 10 30 EEEERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001485188099 1191685139 /nfs/dbraw/zinc/68/51/39/1191685139.db2.gz GYSUOECVJPXXIC-LSDHHAIUSA-N 2 0 335.879 2.126 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001485230186 1191699242 /nfs/dbraw/zinc/69/92/42/1191699242.db2.gz QSJOQWUKCIKAJI-KBPBESRZSA-N 2 0 334.439 2.020 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001486211066 1193751573 /nfs/dbraw/zinc/75/15/73/1193751573.db2.gz SJVGEUPWMSHJOH-RDTXWAMCSA-N 2 0 346.450 2.024 10 30 EEEERP C[NH+](C)C[C@@H]1CN(c2ncc(C#N)c3ccsc32)C[C@H]1C[NH+](C)C ZINC000866011182 1198453665 /nfs/dbraw/zinc/45/36/65/1198453665.db2.gz VRUDDOJSIJWVRK-HUUCEWRRSA-N 2 0 343.500 2.344 10 30 EEEERP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1 ZINC001410995086 1198672357 /nfs/dbraw/zinc/67/23/57/1198672357.db2.gz SITVOQUEUYKBNG-GOSISDBHSA-N 2 0 342.487 2.227 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001411215802 1198924682 /nfs/dbraw/zinc/92/46/82/1198924682.db2.gz WRGCEFPGUZWIQM-LSDHHAIUSA-N 2 0 327.900 2.201 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000876780417 1199770967 /nfs/dbraw/zinc/77/09/67/1199770967.db2.gz UYIKSNMZDQURKL-AWEZNQCLSA-N 2 0 336.867 2.237 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000876850005 1199795179 /nfs/dbraw/zinc/79/51/79/1199795179.db2.gz FJVYGUIQQRYRMI-OAHLLOKOSA-N 2 0 327.831 2.186 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000876850353 1199795372 /nfs/dbraw/zinc/79/53/72/1199795372.db2.gz PLUCUZYCANLDQP-OAHLLOKOSA-N 2 0 345.821 2.325 10 30 EEEERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC#Cc1ccccc1Cl ZINC001274252471 1204977665 /nfs/dbraw/zinc/97/76/65/1204977665.db2.gz VKNUKLOINYHHPZ-MAUKXSAKSA-N 2 0 347.890 2.080 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CCC2CC2)CC1 ZINC001275177580 1205274686 /nfs/dbraw/zinc/27/46/86/1205274686.db2.gz WDPICLAWHYHOGZ-LJQANCHMSA-N 2 0 331.504 2.055 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000928654817 1206407995 /nfs/dbraw/zinc/40/79/95/1206407995.db2.gz FDSVRGAUTNLXHZ-UHFFFAOYSA-N 2 0 334.423 2.075 10 30 EEEERP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2ccnc2C(C)C)C1 ZINC001491297241 1258914322 /nfs/dbraw/zinc/91/43/22/1258914322.db2.gz HHWOFTYRKJBOKY-SJORKVTESA-N 2 0 330.476 2.247 10 30 EEEERP C=C(Br)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001672896032 1278405510 /nfs/dbraw/zinc/40/55/10/1278405510.db2.gz AFWYQRZEJKPFNO-UONOGXRCSA-N 2 0 346.313 2.063 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC2CCCCC2)C2CC2)CC1 ZINC001490742816 1291657784 /nfs/dbraw/zinc/65/77/84/1291657784.db2.gz UXALNOWAFAGAFV-HXUWFJFHSA-N 2 0 345.531 2.396 10 30 EEEERP CC[NH+](CC)[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)c1ccccc1 ZINC000852790349 1292200070 /nfs/dbraw/zinc/20/00/70/1292200070.db2.gz PNCZEVVXYLJGGE-IBGZPJMESA-N 2 0 327.472 2.189 10 30 EEEERP C=C(C)C[NH+]1CCC2(CO[C@H](CNC(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001278101935 1305947379 /nfs/dbraw/zinc/94/73/79/1305947379.db2.gz LLJHRLCSVLNCGK-KRWDZBQOSA-N 2 0 349.519 2.034 10 30 EEEERP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001278184065 1306209267 /nfs/dbraw/zinc/20/92/67/1306209267.db2.gz GWZPWCFAAVGAEF-IAGOWNOFSA-N 2 0 337.483 2.003 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)CC1 ZINC001120028257 1309288661 /nfs/dbraw/zinc/28/86/61/1309288661.db2.gz ZKTFOYCUSJAJHD-LNLFQRSKSA-N 2 0 348.535 2.399 10 30 EEEERP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001264683372 1322782573 /nfs/dbraw/zinc/78/25/73/1322782573.db2.gz BSUFUKILDCKFSU-ICSRJNTNSA-N 2 0 349.519 2.036 10 30 EEEERP CC#CC[NH2+]C1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001265739601 1323358635 /nfs/dbraw/zinc/35/86/35/1323358635.db2.gz SIHGLVMFWKPUDV-UHFFFAOYSA-N 2 0 341.499 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)C2)CC1 ZINC001266079603 1323636365 /nfs/dbraw/zinc/63/63/65/1323636365.db2.gz RZCZPHMFZWTZKI-YCFODECYSA-N 2 0 337.895 2.101 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001280198177 1324110335 /nfs/dbraw/zinc/11/03/35/1324110335.db2.gz OFTDBXXJTXOWML-QFBILLFUSA-N 2 0 337.483 2.050 10 30 EEEERP CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001280857773 1324578836 /nfs/dbraw/zinc/57/88/36/1324578836.db2.gz VBHZNNPYPJZQHG-HXUWFJFHSA-N 2 0 343.515 2.405 10 30 EEEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001281031340 1324730278 /nfs/dbraw/zinc/73/02/78/1324730278.db2.gz PDXJOEBGYZRRFO-QZTJIDSGSA-N 2 0 331.504 2.387 10 30 EEEERP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001282884133 1325821947 /nfs/dbraw/zinc/82/19/47/1325821947.db2.gz AGBFOYIOOIRKFI-AKHDSKFASA-N 2 0 333.520 2.367 10 30 EEEERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001283051528 1325901297 /nfs/dbraw/zinc/90/12/97/1325901297.db2.gz ORGAUJLOJHAAQD-WGSAOQKQSA-N 2 0 339.483 2.007 10 30 EEEERP C=C(Br)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283176065 1325944919 /nfs/dbraw/zinc/94/49/19/1325944919.db2.gz GJYWRTVKPDFNKO-MGPQQGTHSA-N 2 0 346.313 2.110 10 30 EEEERP C=C(Br)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284026647 1326368844 /nfs/dbraw/zinc/36/88/44/1326368844.db2.gz QVJFZBWYQXMFOV-KBPBESRZSA-N 2 0 346.313 2.206 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCC(C)C)C[C@@H]2C)CC1 ZINC001284033281 1326372800 /nfs/dbraw/zinc/37/28/00/1326372800.db2.gz OHXVVPNPMPLUDQ-HKUYNNGSSA-N 2 0 333.520 2.347 10 30 EEEERP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001492086552 1330993796 /nfs/dbraw/zinc/99/37/96/1330993796.db2.gz UXJIYVRDCAFINO-UHOSZYNNSA-N 2 0 329.488 2.392 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001316810965 1331907399 /nfs/dbraw/zinc/90/73/99/1331907399.db2.gz MNWLHEKVTNNHQN-IAGOWNOFSA-N 2 0 339.499 2.296 10 30 EEEERP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001317099290 1332078283 /nfs/dbraw/zinc/07/82/83/1332078283.db2.gz AGZNWSCESWJHQF-RBUKOAKNSA-N 2 0 331.504 2.199 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2CCCF)CC1 ZINC001317436663 1332240372 /nfs/dbraw/zinc/24/03/72/1332240372.db2.gz XLNPCCBQXGGOAQ-GOSISDBHSA-N 2 0 337.483 2.052 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001318804638 1332600971 /nfs/dbraw/zinc/60/09/71/1332600971.db2.gz KUWGAKRLECGXBK-RTBURBONSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001318841809 1332608632 /nfs/dbraw/zinc/60/86/32/1332608632.db2.gz FQQPKCHOCIGJRX-OALUTQOASA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCCC1 ZINC001319374306 1332692131 /nfs/dbraw/zinc/69/21/31/1332692131.db2.gz GGFFNJLADLWZFU-IBGZPJMESA-N 2 0 337.483 2.241 10 30 EEEERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001320607304 1332920223 /nfs/dbraw/zinc/92/02/23/1332920223.db2.gz IUPXKSYEXIDRGC-CXAGYDPISA-N 2 0 334.439 2.022 10 30 EEEERP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001326976673 1334195468 /nfs/dbraw/zinc/19/54/68/1334195468.db2.gz BKGVSBACTRXJJU-FGTMMUONSA-N 2 0 339.524 2.114 10 30 EEEERP CC#CC[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001331045829 1334953003 /nfs/dbraw/zinc/95/30/03/1334953003.db2.gz WHJPRUWAFJWKSA-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001500292310 1342138908 /nfs/dbraw/zinc/13/89/08/1342138908.db2.gz IBTNOEWLAOMVAH-HCZHMGAMSA-N 2 0 331.504 2.269 10 30 EEEERP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001566877894 1342646101 /nfs/dbraw/zinc/64/61/01/1342646101.db2.gz ILAITIKKSKBELH-MAUKXSAKSA-N 2 0 325.472 2.213 10 30 EEEERP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567208617 1342711907 /nfs/dbraw/zinc/71/19/07/1342711907.db2.gz RTBDSKFICGDKNX-CRAIPNDOSA-N 2 0 347.890 2.270 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001569809880 1342949610 /nfs/dbraw/zinc/94/96/10/1342949610.db2.gz DSFXZVFGFFSLDR-GJZGRUSLSA-N 2 0 333.501 2.273 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001660174453 1354410344 /nfs/dbraw/zinc/41/03/44/1354410344.db2.gz PCYMHAAJEZQXKQ-IBGZPJMESA-N 2 0 345.531 2.493 10 30 EEEERP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001661220948 1354611398 /nfs/dbraw/zinc/61/13/98/1354611398.db2.gz LSALYLOOAQLHGO-RBUKOAKNSA-N 2 0 333.520 2.302 10 30 EEEERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001665765870 1355384614 /nfs/dbraw/zinc/38/46/14/1355384614.db2.gz PHHSHXIIFOOAGD-MSOLQXFVSA-N 2 0 347.890 2.270 10 30 EEEERP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001666370994 1355518874 /nfs/dbraw/zinc/51/88/74/1355518874.db2.gz PJUDHLJPTNCEEG-IBGZPJMESA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001672987156 1356627474 /nfs/dbraw/zinc/62/74/74/1356627474.db2.gz MBHGIRWZXSFGEQ-VJANTYMQSA-N 2 0 331.504 2.291 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001674458797 1356838993 /nfs/dbraw/zinc/83/89/93/1356838993.db2.gz YBESXPIEPYHXRV-INIZCTEOSA-N 2 0 333.501 2.369 10 30 EEEERP C=CCCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001675421891 1356976530 /nfs/dbraw/zinc/97/65/30/1356976530.db2.gz COMCOFZUMZAKAY-AZUAARDMSA-N 2 0 349.519 2.129 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000919650868 770144351 /nfs/dbraw/zinc/14/43/51/770144351.db2.gz DNZHYQCDHSEDCJ-UHFFFAOYSA-N 2 0 334.508 2.039 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000910935832 787111788 /nfs/dbraw/zinc/11/17/88/787111788.db2.gz NYLLOUBZNSYAAJ-UHFFFAOYSA-N 2 0 335.448 2.082 10 30 EEEERP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC000923494425 789666082 /nfs/dbraw/zinc/66/60/82/789666082.db2.gz XKBOMNPPHCCXOY-KBAYOESNSA-N 2 0 348.487 2.080 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001439425125 1092192469 /nfs/dbraw/zinc/19/24/69/1092192469.db2.gz UUHWVTDBDHNWTK-OALUTQOASA-N 2 0 342.487 2.275 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001439889109 1092946015 /nfs/dbraw/zinc/94/60/15/1092946015.db2.gz VVPAKVJMQHLEEF-YQQAZPJKSA-N 2 0 327.900 2.297 10 30 EEEERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001440761075 1094003286 /nfs/dbraw/zinc/00/32/86/1094003286.db2.gz ORRVMAFLPJGTCM-UHFFFAOYSA-N 2 0 346.450 2.024 10 30 EEEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001479694059 1098760877 /nfs/dbraw/zinc/76/08/77/1098760877.db2.gz KPEBRTALCWKSTA-HXUWFJFHSA-N 2 0 345.531 2.493 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1ccnc1C(C)C ZINC001479736968 1098846438 /nfs/dbraw/zinc/84/64/38/1098846438.db2.gz AZEKUHCITHNYDU-KRWDZBQOSA-N 2 0 330.476 2.343 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H](C)[NH2+]CC(C)C)C2)CC1 ZINC001496466136 1101057632 /nfs/dbraw/zinc/05/76/32/1101057632.db2.gz ZBTLKHMWSXULDF-PKOBYXMFSA-N 2 0 333.520 2.204 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001496627106 1101231128 /nfs/dbraw/zinc/23/11/28/1101231128.db2.gz ISVMOUVSPSDBOS-RTBURBONSA-N 2 0 342.487 2.130 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]Cc2ccc(F)cc2)CC1 ZINC001497331608 1102337748 /nfs/dbraw/zinc/33/77/48/1102337748.db2.gz MWGLXXZVSSHQBA-MRXNPFEDSA-N 2 0 345.462 2.155 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001447777443 1103303325 /nfs/dbraw/zinc/30/33/25/1103303325.db2.gz VZSQJWCGGZKCPQ-QGZVFWFLSA-N 2 0 346.450 2.072 10 30 EEEERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001447937749 1103643780 /nfs/dbraw/zinc/64/37/80/1103643780.db2.gz WDZZJTJOGRHAOO-IAGOWNOFSA-N 2 0 342.487 2.417 10 30 EEEERP CC[C@@H](CNC(=O)CC[N@H+](C)CC)[NH2+]CC#Cc1ccc(F)cc1 ZINC001495083805 1104723095 /nfs/dbraw/zinc/72/30/95/1104723095.db2.gz JHRAUPPVPIUEOR-SFHVURJKSA-N 2 0 333.451 2.003 10 30 EEEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001480701699 1106914471 /nfs/dbraw/zinc/91/44/71/1106914471.db2.gz MPHXFSACMJEDFB-VQTJNVASSA-N 2 0 341.499 2.201 10 30 EEEERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001480785280 1107113674 /nfs/dbraw/zinc/11/36/74/1107113674.db2.gz KUFVHPXGYYKFTP-HKUYNNGSSA-N 2 0 327.472 2.007 10 30 EEEERP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001479332603 1110682474 /nfs/dbraw/zinc/68/24/74/1110682474.db2.gz DFEDMUIPYRGLST-WOVMCDHWSA-N 2 0 346.450 2.024 10 30 EEEERP C#CCC[NH2+]C1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001502790059 1113800387 /nfs/dbraw/zinc/80/03/87/1113800387.db2.gz OZOGGYFLFBQKGC-UHFFFAOYSA-N 2 0 341.499 2.398 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001506722361 1114832336 /nfs/dbraw/zinc/83/23/36/1114832336.db2.gz OSKMABXKKVXTBI-MJGOQNOKSA-N 2 0 349.519 2.129 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506934319 1114984951 /nfs/dbraw/zinc/98/49/51/1114984951.db2.gz UIVJEXXFHOAQGW-KBXCAEBGSA-N 2 0 346.450 2.166 10 30 EEEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001568118093 1124311230 /nfs/dbraw/zinc/31/12/30/1124311230.db2.gz FVZZQVJGQZDFBF-LJQANCHMSA-N 2 0 327.472 2.310 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001569030593 1125053169 /nfs/dbraw/zinc/05/31/69/1125053169.db2.gz WFCPBGQHPVJWFG-NVXWUHKLSA-N 2 0 347.890 2.128 10 30 EEEERP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000392910699 323551195 /nfs/dbraw/zinc/55/11/95/323551195.db2.gz FDXHMSVSSUBEDA-LJQANCHMSA-N 2 0 343.471 2.106 10 30 EEEERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000568975495 468416439 /nfs/dbraw/zinc/41/64/39/468416439.db2.gz IJKCEZWGDKVJBX-ACBHZAAOSA-N 2 0 345.487 2.202 10 30 EEEERP CN(C(=O)CC1(C#N)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000590315043 468233305 /nfs/dbraw/zinc/23/33/05/468233305.db2.gz HMTYITXRHMOMDC-ZWKOTPCHSA-N 2 0 346.519 2.476 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000594445962 468591669 /nfs/dbraw/zinc/59/16/69/468591669.db2.gz OBRUYAYGOHUZON-ROUUACIJSA-N 2 0 328.460 2.351 10 30 EEEERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595944695 469094445 /nfs/dbraw/zinc/09/44/45/469094445.db2.gz IVWLWQQQJNXXNM-RTBURBONSA-N 2 0 342.487 2.173 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000909438326 683747670 /nfs/dbraw/zinc/74/76/70/683747670.db2.gz HWEQLWLJCHIRRU-UHFFFAOYSA-N 2 0 335.414 2.370 10 30 EEEERP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001485650438 1191870074 /nfs/dbraw/zinc/87/00/74/1191870074.db2.gz MDYQXGWYUUORNW-APWZRJJASA-N 2 0 345.487 2.143 10 30 EEEERP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001485658883 1191879429 /nfs/dbraw/zinc/87/94/29/1191879429.db2.gz ZRLHHDZVNHTYRZ-IPMKNSEASA-N 2 0 331.504 2.102 10 30 EEEERP C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001485671857 1191890593 /nfs/dbraw/zinc/89/05/93/1191890593.db2.gz BBGVQBALZZXBGX-SFHVURJKSA-N 2 0 349.519 2.036 10 30 EEEERP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691402254 1178011738 /nfs/dbraw/zinc/01/17/38/1178011738.db2.gz ITMXBKFKZIFQFB-CRAIPNDOSA-N 2 0 325.472 2.308 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC[C@H](C)F)C2)CC1 ZINC001267114148 1178275062 /nfs/dbraw/zinc/27/50/62/1178275062.db2.gz BUPVKOYIYHZBFE-WMZOPIPTSA-N 2 0 337.483 2.003 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001267233353 1178560688 /nfs/dbraw/zinc/56/06/88/1178560688.db2.gz SKIMSTZBRMCWPI-HXUWFJFHSA-N 2 0 339.483 2.067 10 30 EEEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001481334513 1181058466 /nfs/dbraw/zinc/05/84/66/1181058466.db2.gz YPCPACHCSDMMEJ-MJGOQNOKSA-N 2 0 333.520 2.347 10 30 EEEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001481520007 1181633146 /nfs/dbraw/zinc/63/31/46/1181633146.db2.gz YZPQQXYHOFWNHP-RTBURBONSA-N 2 0 331.504 2.197 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268389463 1182442938 /nfs/dbraw/zinc/44/29/38/1182442938.db2.gz NAZCZVAQTORYAV-CYBMUJFWSA-N 2 0 346.313 2.254 10 30 EEEERP CN(C(=O)CCC[NH+](C)C)[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC001481737760 1182453101 /nfs/dbraw/zinc/45/31/01/1182453101.db2.gz CPDNYMDEYWJZOO-IBGZPJMESA-N 2 0 345.462 2.052 10 30 EEEERP C=C(Br)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001481812906 1182727032 /nfs/dbraw/zinc/72/70/32/1182727032.db2.gz AZQJJYNMRJHOGT-MELADBBJSA-N 2 0 346.313 2.110 10 30 EEEERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ccc(C#N)s1 ZINC001481880830 1182863202 /nfs/dbraw/zinc/86/32/02/1182863202.db2.gz HQYWINGWXMPXBG-YOEHRIQHSA-N 2 0 348.516 2.479 10 30 EEEERP C=CCCC[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268591287 1183393239 /nfs/dbraw/zinc/39/32/39/1183393239.db2.gz PZCLETZPVHLTLP-GIFJBRJJSA-N 2 0 325.472 2.427 10 30 EEEERP C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001270350890 1185038117 /nfs/dbraw/zinc/03/81/17/1185038117.db2.gz CUQZYMDVSAJOMV-UHFFFAOYSA-N 2 0 331.504 2.055 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@@H](C)C1 ZINC001482439878 1185724927 /nfs/dbraw/zinc/72/49/27/1185724927.db2.gz WXMTXFIOWYSBRW-ICSRJNTNSA-N 2 0 341.499 2.205 10 30 EEEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001271346599 1186152183 /nfs/dbraw/zinc/15/21/83/1186152183.db2.gz FFDJGQXAFDRICR-YTQUADARSA-N 2 0 333.520 2.395 10 30 EEEERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001271894414 1186589364 /nfs/dbraw/zinc/58/93/64/1186589364.db2.gz VQFHVXIFHHTZPA-SFHVURJKSA-N 2 0 349.906 2.374 10 30 EEEERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001482570935 1186906967 /nfs/dbraw/zinc/90/69/67/1186906967.db2.gz POPBTRQRJBWNBY-SFHVURJKSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001409342232 1189547894 /nfs/dbraw/zinc/54/78/94/1189547894.db2.gz BHSHWJUGFRYNSH-STQMWFEESA-N 2 0 348.329 2.356 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001483817814 1191046226 /nfs/dbraw/zinc/04/62/26/1191046226.db2.gz ZTTKVAOZSPNVHO-WOJBJXKFSA-N 2 0 343.515 2.340 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001484385412 1191325885 /nfs/dbraw/zinc/32/58/85/1191325885.db2.gz ZGIJWKZNZZNNIN-APWZRJJASA-N 2 0 342.487 2.083 10 30 EEEERP C#CC[NH+]1CCC(CCCCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001484821111 1191540216 /nfs/dbraw/zinc/54/02/16/1191540216.db2.gz MSOJCKUAKIUFCA-UHFFFAOYSA-N 2 0 331.504 2.104 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CC(C)C)CCCCC2)CC1 ZINC001485459418 1191797679 /nfs/dbraw/zinc/79/76/79/1191797679.db2.gz QHDRKWSNFDHQCD-UHFFFAOYSA-N 2 0 333.520 2.396 10 30 EEEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001691692958 1197510857 /nfs/dbraw/zinc/51/08/57/1197510857.db2.gz WRPQSJYIDRLJOS-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666483 1201574299 /nfs/dbraw/zinc/57/42/99/1201574299.db2.gz SPYNHNVBTAKKMO-KURKYZTESA-N 2 0 327.428 2.094 10 30 EEEERP C=CCC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883178740 1202026764 /nfs/dbraw/zinc/02/67/64/1202026764.db2.gz DAFQRBRWRHYTLP-OALUTQOASA-N 2 0 344.503 2.437 10 30 EEEERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001275459635 1205370699 /nfs/dbraw/zinc/37/06/99/1205370699.db2.gz HXPLOXAZRIMPEQ-QZTJIDSGSA-N 2 0 341.499 2.395 10 30 EEEERP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001275659480 1205470163 /nfs/dbraw/zinc/47/01/63/1205470163.db2.gz VYCSZZLPBYCJMI-UHOSZYNNSA-N 2 0 329.488 2.344 10 30 EEEERP C[NH+]=C(NCc1coc(-c2ccccc2)n1)NC[C@H](C)[NH+]1CCCC1 ZINC000095964610 1215633222 /nfs/dbraw/zinc/63/32/22/1215633222.db2.gz XPRCJNUDWWIWFO-HNNXBMFYSA-N 2 0 341.459 2.491 10 30 EEEERP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001276318416 1215696112 /nfs/dbraw/zinc/69/61/12/1215696112.db2.gz BQPCSLTYWXMUQM-APWZRJJASA-N 2 0 337.483 2.193 10 30 EEEERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001491486905 1259136998 /nfs/dbraw/zinc/13/69/98/1259136998.db2.gz QYQRFERBBGELJG-YJBOKZPZSA-N 2 0 328.460 2.027 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001490281425 1291112134 /nfs/dbraw/zinc/11/21/34/1291112134.db2.gz JBNKDRGXMNGFGU-UHFFFAOYSA-N 2 0 333.520 2.206 10 30 EEEERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852883081 1292223818 /nfs/dbraw/zinc/22/38/18/1292223818.db2.gz GKKPLVPNHKLREA-UHFFFAOYSA-N 2 0 327.472 2.100 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001280128643 1324091475 /nfs/dbraw/zinc/09/14/75/1324091475.db2.gz QPZUBQNNDYGGQI-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282220026 1325654818 /nfs/dbraw/zinc/65/48/18/1325654818.db2.gz NPEFUNIQMDUJOT-QZTJIDSGSA-N 2 0 329.488 2.253 10 30 EEEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001283068938 1325907629 /nfs/dbraw/zinc/90/76/29/1325907629.db2.gz IXQXKKXJGVLIGK-LNLFQRSKSA-N 2 0 331.504 2.291 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001283721401 1326219061 /nfs/dbraw/zinc/21/90/61/1326219061.db2.gz IENYGKKYUMBVDU-SFHVURJKSA-N 2 0 341.499 2.277 10 30 EEEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001284221674 1326465221 /nfs/dbraw/zinc/46/52/21/1326465221.db2.gz WZRHWNYGDCUVSD-HKUYNNGSSA-N 2 0 329.488 2.465 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001491956785 1330349625 /nfs/dbraw/zinc/34/96/25/1330349625.db2.gz VWMNJANFMLELBX-HXUWFJFHSA-N 2 0 341.499 2.303 10 30 EEEERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001492110854 1330479763 /nfs/dbraw/zinc/47/97/63/1330479763.db2.gz SZBDEYMHBMNEDT-ZBFHGGJFSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001316882320 1331948975 /nfs/dbraw/zinc/94/89/75/1331948975.db2.gz TUDCESQAROZREJ-AEFFLSMTSA-N 2 0 337.508 2.033 10 30 EEEERP C=CCOCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001316933383 1331999411 /nfs/dbraw/zinc/99/94/11/1331999411.db2.gz JNCNZRJQKSKDLM-OALUTQOASA-N 2 0 349.519 2.129 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC/C=C/CC)CC1 ZINC001317514111 1332276054 /nfs/dbraw/zinc/27/60/54/1332276054.db2.gz UCMSHMFOBPZYBU-ZMBJWTFHSA-N 2 0 331.504 2.269 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001317720978 1332387862 /nfs/dbraw/zinc/38/78/62/1332387862.db2.gz QDASXVJHJPROQE-MOPGFXCFSA-N 2 0 327.472 2.331 10 30 EEEERP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001319867863 1332788734 /nfs/dbraw/zinc/78/87/34/1332788734.db2.gz HAUFOEKRCSMMJX-VQIMIIECSA-N 2 0 327.472 2.212 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCC(=C)C)CC1 ZINC001320185695 1332845225 /nfs/dbraw/zinc/84/52/25/1332845225.db2.gz RVGAFLOSIAOGLT-OALUTQOASA-N 2 0 331.504 2.172 10 30 EEEERP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001323657917 1333510372 /nfs/dbraw/zinc/51/03/72/1333510372.db2.gz FDGISILCIFDMGR-HMQMGEFJSA-N 2 0 325.472 2.354 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001325560460 1333911663 /nfs/dbraw/zinc/91/16/63/1333911663.db2.gz BUPJLOZZBKFPPF-HKUYNNGSSA-N 2 0 329.488 2.031 10 30 EEEERP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001327173804 1334240199 /nfs/dbraw/zinc/24/01/99/1334240199.db2.gz UGZAOBYQYUPPRL-OALUTQOASA-N 2 0 333.520 2.491 10 30 EEEERP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001328805914 1334525714 /nfs/dbraw/zinc/52/57/14/1334525714.db2.gz GUICNHOCTHESAN-QZTJIDSGSA-N 2 0 333.520 2.465 10 30 EEEERP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001330476059 1334853683 /nfs/dbraw/zinc/85/36/83/1334853683.db2.gz QKBSLRWLRQURNZ-SLFFLAALSA-N 2 0 345.531 2.493 10 30 EEEERP C#CCC[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001331177436 1334976495 /nfs/dbraw/zinc/97/64/95/1334976495.db2.gz UQQGCELGCFQMMH-MOPGFXCFSA-N 2 0 327.472 2.189 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001332460974 1335829427 /nfs/dbraw/zinc/82/94/27/1335829427.db2.gz WBCOFYWRXKJWGN-ZIAGYGMSSA-N 2 0 347.425 2.131 10 30 EEEERP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001506575490 1342255793 /nfs/dbraw/zinc/25/57/93/1342255793.db2.gz MKHLDHKYIVBRGT-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001569847360 1342957367 /nfs/dbraw/zinc/95/73/67/1342957367.db2.gz QDTJNKJGZDWYOP-PXNSSMCTSA-N 2 0 341.499 2.112 10 30 EEEERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001569846896 1342957509 /nfs/dbraw/zinc/95/75/09/1342957509.db2.gz HRCOPLKGZOBYGW-QUCCMNQESA-N 2 0 341.499 2.064 10 30 EEEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001570366043 1343062337 /nfs/dbraw/zinc/06/23/37/1343062337.db2.gz ONFNISGJZPKCKK-ZBFHGGJFSA-N 2 0 327.900 2.442 10 30 EEEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001676234544 1357124464 /nfs/dbraw/zinc/12/44/64/1357124464.db2.gz OCJDZFDOPKNHRX-SFHVURJKSA-N 2 0 339.443 2.284 10 30 EEEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001664717707 1355221142 /nfs/dbraw/zinc/22/11/42/1355221142.db2.gz SSIZZFPMIJVIQP-HNNXBMFYSA-N 2 0 333.501 2.275 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001667059894 1355642290 /nfs/dbraw/zinc/64/22/90/1355642290.db2.gz WNRYBVXIYVKGEU-INIZCTEOSA-N 2 0 349.906 2.468 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001668868865 1356029952 /nfs/dbraw/zinc/02/99/52/1356029952.db2.gz SWMBIBCVLFOGDU-RRFGBZISSA-N 2 0 339.483 2.175 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001671957831 1356443740 /nfs/dbraw/zinc/44/37/40/1356443740.db2.gz RHIKCXVOHHEATR-CALCHBBNSA-N 2 0 337.508 2.080 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCCC=C)CC1 ZINC001672543371 1356551798 /nfs/dbraw/zinc/55/17/98/1356551798.db2.gz IIPQVRAQXRSSFN-PMACEKPBSA-N 2 0 343.515 2.363 10 30 EEEERP C=CCOCC[NH2+]C1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001673962575 1356765941 /nfs/dbraw/zinc/76/59/41/1356765941.db2.gz XOMGEXVKRKYHDG-UHFFFAOYSA-N 2 0 349.519 2.036 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001674142530 1356797610 /nfs/dbraw/zinc/79/76/10/1356797610.db2.gz UEJGWKXHIDZRQE-IRXDYDNUSA-N 2 0 337.508 2.033 10 30 EEEERP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001675252791 1356951880 /nfs/dbraw/zinc/95/18/80/1356951880.db2.gz DXWHMQQJURMGAN-IRXDYDNUSA-N 2 0 325.472 2.050 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001699011058 1405225778 /nfs/dbraw/zinc/22/57/78/1405225778.db2.gz LJFYMFFRMMMZSE-GOSISDBHSA-N 2 0 335.536 2.404 10 30 EEEERP C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000921961229 798420424 /nfs/dbraw/zinc/42/04/24/798420424.db2.gz OSNPSBYSTHBYRH-GOSISDBHSA-N 2 0 328.460 2.027 10 30 EEEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001566075534 1125547439 /nfs/dbraw/zinc/54/74/39/1125547439.db2.gz MSXXLRRBAUQCLK-HXUWFJFHSA-N 2 0 345.531 2.493 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)cc1 ZINC001566453027 1125611569 /nfs/dbraw/zinc/61/15/69/1125611569.db2.gz CHMPACCZMWPPOO-IBGZPJMESA-N 2 0 342.487 2.369 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001437836747 1090423634 /nfs/dbraw/zinc/42/36/34/1090423634.db2.gz FQLXNFJLWAZBJP-YOEHRIQHSA-N 2 0 339.911 2.297 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC001438300967 1090780766 /nfs/dbraw/zinc/78/07/66/1090780766.db2.gz LWIHCKKFAFRWAF-WMLDXEAASA-N 2 0 348.516 2.479 10 30 EEEERP CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)C(C)C)[NH+](C)C 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/nfs/dbraw/zinc/18/23/56/1103182356.db2.gz ZQQSOQHDEIIGES-UYAOXDASSA-N 2 0 341.499 2.253 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001447915008 1103584900 /nfs/dbraw/zinc/58/49/00/1103584900.db2.gz VJGXHXLBBDSLDB-CABCVRRESA-N 2 0 348.516 2.334 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001501698273 1113440291 /nfs/dbraw/zinc/44/02/91/1113440291.db2.gz JARRTFLCXVWCIT-VJANTYMQSA-N 2 0 331.504 2.291 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]C[C@H](C)CC)CC1 ZINC001501898490 1113515311 /nfs/dbraw/zinc/51/53/11/1113515311.db2.gz KTDSCTJHKJVDIT-IEBWSBKVSA-N 2 0 333.520 2.348 10 30 EEEERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001505761158 1114175053 /nfs/dbraw/zinc/17/50/53/1114175053.db2.gz QMVFOEIYNXESFJ-DLBZAZTESA-N 2 0 342.487 2.417 10 30 EEEERP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001568087648 1124291674 /nfs/dbraw/zinc/29/16/74/1124291674.db2.gz ISUMDBICAFKYMP-IBGZPJMESA-N 2 0 331.504 2.245 10 30 EEEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001568087551 1124291997 /nfs/dbraw/zinc/29/19/97/1124291997.db2.gz GASAMQJOAYXZPY-UHFFFAOYSA-N 2 0 327.900 2.442 10 30 EEEERP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001568923108 1124952424 /nfs/dbraw/zinc/95/24/24/1124952424.db2.gz KKDBSOQGYPQKQZ-JCMVTEASSA-N 2 0 327.472 2.170 10 30 EEEERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001569019209 1125046174 /nfs/dbraw/zinc/04/61/74/1125046174.db2.gz PFKNXRLZYPPJHT-MJGOQNOKSA-N 2 0 329.488 2.253 10 30 EEEERP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1F ZINC000423372961 466731057 /nfs/dbraw/zinc/73/10/57/466731057.db2.gz BRDGOTOTSDNOOG-NHYWBVRUSA-N 2 0 344.356 2.184 10 30 EEEERP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000594437798 468586829 /nfs/dbraw/zinc/58/68/29/468586829.db2.gz FNNSGMSLHPXLDZ-NXHRZFHOSA-N 2 0 328.460 2.177 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000594446123 468591594 /nfs/dbraw/zinc/59/15/94/468591594.db2.gz PNSXKGDOTXTEHC-GJZGRUSLSA-N 2 0 334.489 2.412 10 30 EEEERP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1C#N ZINC000593323266 468938125 /nfs/dbraw/zinc/93/81/25/468938125.db2.gz SAAHAUORJUEMTD-YQVWRLOYSA-N 2 0 329.444 2.428 10 30 EEEERP C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262329084 685366591 /nfs/dbraw/zinc/36/65/91/685366591.db2.gz AOHGJUDDHXFACW-OKMQIQTRSA-N 2 0 336.524 2.370 10 30 EEEERP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nccn3C2)C(C)(C)C1 ZINC001485570983 1191840035 /nfs/dbraw/zinc/84/00/35/1191840035.db2.gz XSWFRKMOIUGVGY-HZPDHXFCSA-N 2 0 330.476 2.238 10 30 EEEERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001266544668 1176802641 /nfs/dbraw/zinc/80/26/41/1176802641.db2.gz FVZUZKSCWWRDAY-LJQANCHMSA-N 2 0 342.487 2.228 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001266557198 1176838450 /nfs/dbraw/zinc/83/84/50/1176838450.db2.gz RQPPDEORCPAHOM-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001266808027 1177464287 /nfs/dbraw/zinc/46/42/87/1177464287.db2.gz XCHSIWDYICPNFO-UXHICEINSA-N 2 0 341.499 2.207 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001267779985 1180517584 /nfs/dbraw/zinc/51/75/84/1180517584.db2.gz YEAKGMWQPRQNPP-LIXSYLKWSA-N 2 0 331.504 2.221 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]Cc2ccc(F)cc2)CC1 ZINC001481882629 1182869191 /nfs/dbraw/zinc/86/91/91/1182869191.db2.gz TUHSQSILGKGGEL-IBGZPJMESA-N 2 0 345.462 2.155 10 30 EEEERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]CC#Cc2ccccc2)CCCC1 ZINC001481911905 1182935003 /nfs/dbraw/zinc/93/50/03/1182935003.db2.gz OQXOQEPQNIOFFO-UHFFFAOYSA-N 2 0 341.499 2.399 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269800172 1184628750 /nfs/dbraw/zinc/62/87/50/1184628750.db2.gz YZPJPZMTUCAOBH-RBUKOAKNSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCCCC)CC1 ZINC001270315205 1185010049 /nfs/dbraw/zinc/01/00/49/1185010049.db2.gz JBDVNMVTCPDQAJ-FQEVSTJZSA-N 2 0 345.531 2.445 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001280272706 1185312903 /nfs/dbraw/zinc/31/29/03/1185312903.db2.gz AOFRJYDDQFDBRN-HNNXBMFYSA-N 2 0 348.516 2.290 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001482437382 1185715446 /nfs/dbraw/zinc/71/54/46/1185715446.db2.gz NTNCTEGOIWSQCC-LPHOPBHVSA-N 2 0 327.472 2.212 10 30 EEEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001271008482 1185807286 /nfs/dbraw/zinc/80/72/86/1185807286.db2.gz YFGDIJKJQYADLX-FQEVSTJZSA-N 2 0 333.520 2.494 10 30 EEEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001691629573 1188878929 /nfs/dbraw/zinc/87/89/29/1188878929.db2.gz QXKQUOICNIOJKF-MSOLQXFVSA-N 2 0 342.487 2.138 10 30 EEEERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001409406292 1189634438 /nfs/dbraw/zinc/63/44/38/1189634438.db2.gz LRKHWCBNJFMHMW-ZIAGYGMSSA-N 2 0 346.450 2.022 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001485960340 1193659643 /nfs/dbraw/zinc/65/96/43/1193659643.db2.gz DXQCWLBRYGYGCB-MRXNPFEDSA-N 2 0 349.906 2.468 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001483512287 1190525253 /nfs/dbraw/zinc/52/52/53/1190525253.db2.gz UZCKLDXXBHOBEI-GASCZTMLSA-N 2 0 348.516 2.431 10 30 EEEERP CC[N@H+](C)CCC(=O)NC[C@H]1CCN1CC#Cc1ccc(Cl)cc1 ZINC001483688346 1190754956 /nfs/dbraw/zinc/75/49/56/1190754956.db2.gz GRNQIAXTHMRTEB-GOSISDBHSA-N 2 0 347.890 2.224 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001272456499 1190831608 /nfs/dbraw/zinc/83/16/08/1190831608.db2.gz GILTZBBOOPFYFL-IEBWSBKVSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CC2CC2)CC1 ZINC001483988288 1191143953 /nfs/dbraw/zinc/14/39/53/1191143953.db2.gz VTXGDSLVUZSPFU-UYAOXDASSA-N 2 0 343.515 2.340 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001484000698 1191150533 /nfs/dbraw/zinc/15/05/33/1191150533.db2.gz IUZRFYNXSPVZCQ-RBUKOAKNSA-N 2 0 331.504 2.291 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001484383795 1191322912 /nfs/dbraw/zinc/32/29/12/1191322912.db2.gz CUUXALRAXHEYEH-MJGOQNOKSA-N 2 0 347.547 2.452 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001484394414 1191332716 /nfs/dbraw/zinc/33/27/16/1191332716.db2.gz MPZZLLFUAJADKL-CADBVGFASA-N 2 0 333.520 2.252 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001484727362 1191486844 /nfs/dbraw/zinc/48/68/44/1191486844.db2.gz BVHLEGMARXZEKY-OALUTQOASA-N 2 0 333.520 2.491 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2ccccc2C#N)CC1 ZINC001484926843 1191573593 /nfs/dbraw/zinc/57/35/93/1191573593.db2.gz YIILOJSZDZFAPR-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C[C@H]1C ZINC001484982821 1191600931 /nfs/dbraw/zinc/60/09/31/1191600931.db2.gz NPBCCDWMEVLMOK-UYAOXDASSA-N 2 0 341.499 2.153 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001485040510 1191628229 /nfs/dbraw/zinc/62/82/29/1191628229.db2.gz HJDBMDQERXMZHZ-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001485230189 1191699320 /nfs/dbraw/zinc/69/93/20/1191699320.db2.gz QSJOQWUKCIKAJI-ZIAGYGMSSA-N 2 0 334.439 2.020 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000876782946 1199772537 /nfs/dbraw/zinc/77/25/37/1199772537.db2.gz XAOQXPICEZTGBN-MRXNPFEDSA-N 2 0 336.867 2.237 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000876848432 1199794305 /nfs/dbraw/zinc/79/43/05/1199794305.db2.gz QTHVUIPBLVHRKJ-OAHLLOKOSA-N 2 0 327.831 2.186 10 30 EEEERP C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001691726138 1204220828 /nfs/dbraw/zinc/22/08/28/1204220828.db2.gz HMCCVCCUTULYEV-MRXNPFEDSA-N 2 0 327.900 2.297 10 30 EEEERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001274106108 1204373322 /nfs/dbraw/zinc/37/33/22/1204373322.db2.gz VUXBLTPHOZTTJQ-UEKDZROGSA-N 2 0 345.462 2.025 10 30 EEEERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001275459637 1205370696 /nfs/dbraw/zinc/37/06/96/1205370696.db2.gz HXPLOXAZRIMPEQ-ZWKOTPCHSA-N 2 0 341.499 2.395 10 30 EEEERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001275479937 1205378587 /nfs/dbraw/zinc/37/85/87/1205378587.db2.gz DONLAYPRUSGINX-HUUCEWRRSA-N 2 0 335.879 2.126 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000928654906 1206408436 /nfs/dbraw/zinc/40/84/36/1206408436.db2.gz HNPFYYXQQXUUFF-HXUWFJFHSA-N 2 0 339.483 2.255 10 30 EEEERP N#Cc1ccc(N[C@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nc1 ZINC000903987794 1242886714 /nfs/dbraw/zinc/88/67/14/1242886714.db2.gz JRWTXGHRHSMUQA-FBVQUNGASA-N 2 0 325.460 2.360 10 30 EEEERP C[C@@H](CCNC(=O)C#CC1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000852872320 1292223492 /nfs/dbraw/zinc/22/34/92/1292223492.db2.gz LMTBLJKXLWEXHH-KRWDZBQOSA-N 2 0 327.472 2.016 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001278404355 1310079420 /nfs/dbraw/zinc/07/94/20/1310079420.db2.gz NEVOUWRTMFSWAJ-LPHOPBHVSA-N 2 0 327.472 2.007 10 30 EEEERP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001278607069 1317347578 /nfs/dbraw/zinc/34/75/78/1317347578.db2.gz CLYLXPBLUBEOQC-GOSISDBHSA-N 2 0 345.531 2.493 10 30 EEEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001263933274 1322556109 /nfs/dbraw/zinc/55/61/09/1322556109.db2.gz SXXHTBBCIMTVCX-IPMKNSEASA-N 2 0 333.520 2.395 10 30 EEEERP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+](Cc2ccc(C#N)s2)C2CC2)C1 ZINC001265182837 1322973807 /nfs/dbraw/zinc/97/38/07/1322973807.db2.gz RNZWFARNUYDCHH-AWEZNQCLSA-N 2 0 346.500 2.042 10 30 EEEERP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265526361 1323204749 /nfs/dbraw/zinc/20/47/49/1323204749.db2.gz YVMCAWQTLRLRIK-OALUTQOASA-N 2 0 331.504 2.199 10 30 EEEERP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266235157 1323819369 /nfs/dbraw/zinc/81/93/69/1323819369.db2.gz SAEBQZILFZQAJH-ZBFHGGJFSA-N 2 0 327.900 2.442 10 30 EEEERP C=CCC[C@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+]1CCCCC1)CO2 ZINC001280979973 1324692294 /nfs/dbraw/zinc/69/22/94/1324692294.db2.gz RKFXDSKUORYSSX-ZWKOTPCHSA-N 2 0 349.519 2.177 10 30 EEEERP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001282880037 1325820231 /nfs/dbraw/zinc/82/02/31/1325820231.db2.gz ZULOTXJLWFFCPM-GGXPGOJBSA-N 2 0 337.483 2.069 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001283723970 1326220316 /nfs/dbraw/zinc/22/03/16/1326220316.db2.gz RDQMTTKDFVWHGF-INIZCTEOSA-N 2 0 349.906 2.468 10 30 EEEERP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001316664221 1330064499 /nfs/dbraw/zinc/06/44/99/1330064499.db2.gz MNCPHRXQASOKCF-XUVXKRRUSA-N 2 0 341.499 2.253 10 30 EEEERP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001316999957 1332038247 /nfs/dbraw/zinc/03/82/47/1332038247.db2.gz BYEDYLTYPRGYHW-LJQANCHMSA-N 2 0 341.499 2.318 10 30 EEEERP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC001319386068 1332693255 /nfs/dbraw/zinc/69/32/55/1332693255.db2.gz VEVMGRLRAZJRJT-UHFFFAOYSA-N 2 0 341.499 2.399 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001320531863 1332905018 /nfs/dbraw/zinc/90/50/18/1332905018.db2.gz ZROAHMFRDZJZAB-AWEZNQCLSA-N 2 0 346.450 2.024 10 30 EEEERP N#Cc1cccc(C[NH2+]C/C=C\CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001321416919 1333098733 /nfs/dbraw/zinc/09/87/33/1333098733.db2.gz MDDPMNCUDMPCPE-IHWYPQMZSA-N 2 0 340.471 2.196 10 30 EEEERP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001324432545 1333682371 /nfs/dbraw/zinc/68/23/71/1333682371.db2.gz XZKMRQLDPLUWHY-KZJSRBBCSA-N 2 0 337.895 2.007 10 30 EEEERP C#CCN(C(=O)CCCC[NH+]1CCCC1)C1CC[NH+](CC#CC)CC1 ZINC001324442159 1333685257 /nfs/dbraw/zinc/68/52/57/1333685257.db2.gz WPIRYALVWAKAEX-UHFFFAOYSA-N 2 0 343.515 2.202 10 30 EEEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001325740661 1333951332 /nfs/dbraw/zinc/95/13/32/1333951332.db2.gz OMLBRXHEUZMZAG-BDXSIMOUSA-N 2 0 339.499 2.411 10 30 EEEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001327082942 1334218348 /nfs/dbraw/zinc/21/83/48/1334218348.db2.gz YLFNONUPACFOHX-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC(=C)Cl)CC1 ZINC001327456156 1334295656 /nfs/dbraw/zinc/29/56/56/1334295656.db2.gz XBXQMFGZWNLQOQ-INIZCTEOSA-N 2 0 337.895 2.197 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H]([NH2+]CC2CC(C)C2)C(C)C)CC1 ZINC001676179872 1357115890 /nfs/dbraw/zinc/11/58/90/1357115890.db2.gz BGEHLVUUBIERJV-AFMYVXGZSA-N 2 0 347.547 2.498 10 30 EEEERP C#CC[NH2+][C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)Cc1ccccc1 ZINC001676898013 1357236625 /nfs/dbraw/zinc/23/66/25/1357236625.db2.gz JQBLZJJVACBCDX-SLFFLAALSA-N 2 0 341.499 2.057 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001666218884 1355487187 /nfs/dbraw/zinc/48/71/87/1355487187.db2.gz GFNHWQRQLIJGHF-RBUKOAKNSA-N 2 0 331.504 2.245 10 30 EEEERP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCc2cncn2C1 ZINC001667268165 1355693649 /nfs/dbraw/zinc/69/36/49/1355693649.db2.gz SZRCTVPTIVSHOD-IAGOWNOFSA-N 2 0 330.476 2.382 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668468879 1355946528 /nfs/dbraw/zinc/94/65/28/1355946528.db2.gz IUYLIRHUHOUVSV-IBGZPJMESA-N 2 0 345.462 2.100 10 30 EEEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001675343067 1356967662 /nfs/dbraw/zinc/96/76/62/1356967662.db2.gz JDFZGKIIGLRZMW-RDTXWAMCSA-N 2 0 325.472 2.212 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001691962035 1404969595 /nfs/dbraw/zinc/96/95/95/1404969595.db2.gz WMEIIAFBYOKIMX-MOPGFXCFSA-N 2 0 345.531 2.445 10 30 EEEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001698754309 1405043488 /nfs/dbraw/zinc/04/34/88/1405043488.db2.gz OEERAWHJVOWQGU-HNNXBMFYSA-N 2 0 327.432 2.189 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001698932138 1405169979 /nfs/dbraw/zinc/16/99/79/1405169979.db2.gz BAMDHKDBJHAHRH-FXAWDEMLSA-N 2 0 345.531 2.348 10 30 EEEERP C#CCN(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914078577 794839351 /nfs/dbraw/zinc/83/93/51/794839351.db2.gz FIXFIVYPDLINIU-HDICACEKSA-N 2 0 348.535 2.093 10 30 EEEERP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001437419522 1089700995 /nfs/dbraw/zinc/70/09/95/1089700995.db2.gz UCRZNDHXYTZHGV-DYVFJYSZSA-N 2 0 334.439 2.022 10 30 EEEERP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001438259398 1090741118 /nfs/dbraw/zinc/74/11/18/1090741118.db2.gz KUCHYNAHCUIFNH-RBUKOAKNSA-N 2 0 342.487 2.321 10 30 EEEERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(C#N)c1 ZINC001438510787 1091003362 /nfs/dbraw/zinc/00/33/62/1091003362.db2.gz AQVNBTKHANTUDE-BXWFABGCSA-N 2 0 342.487 2.130 10 30 EEEERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001445446396 1091208397 /nfs/dbraw/zinc/20/83/97/1091208397.db2.gz MBVPHBFNDYADAT-APWZRJJASA-N 2 0 342.487 2.415 10 30 EEEERP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001439226079 1091871342 /nfs/dbraw/zinc/87/13/42/1091871342.db2.gz YZBCCZWWVOUOSU-KBPBESRZSA-N 2 0 334.489 2.088 10 30 EEEERP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001439286647 1091946692 /nfs/dbraw/zinc/94/66/92/1091946692.db2.gz GGOCGHJENDAQEK-KBPBESRZSA-N 2 0 346.313 2.110 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001440656891 1093928601 /nfs/dbraw/zinc/92/86/01/1093928601.db2.gz WYQXRGCUWJBFPP-MELADBBJSA-N 2 0 346.313 2.110 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001440928408 1094181529 /nfs/dbraw/zinc/18/15/29/1094181529.db2.gz JIZJYDZDQSUBMZ-VQIMIIECSA-N 2 0 342.487 2.369 10 30 EEEERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001441584824 1095399763 /nfs/dbraw/zinc/39/97/63/1095399763.db2.gz KOBATGLPHGYKIS-AWEZNQCLSA-N 2 0 348.516 2.431 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001480289288 1099999180 /nfs/dbraw/zinc/99/91/80/1099999180.db2.gz CMEFXVLORWKMOA-SFHVURJKSA-N 2 0 341.499 2.256 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001496442650 1101033054 /nfs/dbraw/zinc/03/30/54/1101033054.db2.gz GVLXXMKEUGFSDP-ZWKOTPCHSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001496501694 1101095648 /nfs/dbraw/zinc/09/56/48/1101095648.db2.gz NPXLLFLTKRMXNC-RBUKOAKNSA-N 2 0 333.520 2.301 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C#N)s1 ZINC001447773040 1103287930 /nfs/dbraw/zinc/28/79/30/1103287930.db2.gz UFGPACRRQNALDW-HNNXBMFYSA-N 2 0 348.516 2.383 10 30 EEEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001494146809 1103600496 /nfs/dbraw/zinc/60/04/96/1103600496.db2.gz CMMGUWKSDMPXSN-QGZVFWFLSA-N 2 0 329.488 2.371 10 30 EEEERP C[C@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001480771071 1107082412 /nfs/dbraw/zinc/08/24/12/1107082412.db2.gz OMDYNPWZXKUSOA-VQIMIIECSA-N 2 0 342.487 2.417 10 30 EEEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001498824298 1108172655 /nfs/dbraw/zinc/17/26/55/1108172655.db2.gz BRBULVPJDDMYEE-AABGKKOBSA-N 2 0 341.499 2.392 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1CC ZINC001498888923 1108281150 /nfs/dbraw/zinc/28/11/50/1108281150.db2.gz ILOFPGNVXZMJTQ-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001501669028 1113425302 /nfs/dbraw/zinc/42/53/02/1113425302.db2.gz YDCZGRBGIBRGDM-IBGZPJMESA-N 2 0 329.488 2.344 10 30 EEEERP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001502985902 1113866837 /nfs/dbraw/zinc/86/68/37/1113866837.db2.gz IQLMPBYKRDCFFQ-IAGOWNOFSA-N 2 0 339.524 2.136 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001505413851 1113947505 /nfs/dbraw/zinc/94/75/05/1113947505.db2.gz ROAZBZGKVWKVGJ-GUDVDZBRSA-N 2 0 327.472 2.419 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001505735009 1114158992 /nfs/dbraw/zinc/15/89/92/1114158992.db2.gz JSKJAWZKRGEWBL-KBPBESRZSA-N 2 0 334.439 2.022 10 30 EEEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001506548510 1114690604 /nfs/dbraw/zinc/69/06/04/1114690604.db2.gz JKPNVRJBDXXOQC-CRAIPNDOSA-N 2 0 325.472 2.097 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC/C=C/CC)C[C@H]2C)CC1 ZINC001507338251 1115201111 /nfs/dbraw/zinc/20/11/11/1115201111.db2.gz IOCHACIUVJLHSR-WAQVGJNASA-N 2 0 331.504 2.267 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001507361825 1115222509 /nfs/dbraw/zinc/22/25/09/1115222509.db2.gz DCWGVNNEDXJKJD-KZNAEPCWSA-N 2 0 331.504 2.265 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001507363536 1115223871 /nfs/dbraw/zinc/22/38/71/1115223871.db2.gz LXTOHTDLCLUUTC-HRCADAONSA-N 2 0 327.900 2.297 10 30 EEEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC001507431416 1115265015 /nfs/dbraw/zinc/26/50/15/1115265015.db2.gz MPNZGRGQMDRBAN-IEBWSBKVSA-N 2 0 345.531 2.491 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001568094841 1124298807 /nfs/dbraw/zinc/29/88/07/1124298807.db2.gz QKHHRZOCEJGKKU-MOPGFXCFSA-N 2 0 331.504 2.245 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001569258724 1125200247 /nfs/dbraw/zinc/20/02/47/1125200247.db2.gz GNTURGOBHYXTKP-SFHVURJKSA-N 2 0 330.476 2.083 10 30 EEEERP CC[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000413674283 467290569 /nfs/dbraw/zinc/29/05/69/467290569.db2.gz CIORMZUNCADJHV-QGZVFWFLSA-N 2 0 328.460 2.001 10 30 EEEERP C=CCOc1ccccc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414963964 467457085 /nfs/dbraw/zinc/45/70/85/467457085.db2.gz BKLDHPGNGRCNCK-INIZCTEOSA-N 2 0 343.393 2.177 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000594446053 468591273 /nfs/dbraw/zinc/59/12/73/468591273.db2.gz PBBKMFMYIXQDCO-GOSISDBHSA-N 2 0 328.460 2.178 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(CC)[C@H]1CC[N@H+](C)C1)C(C)C ZINC000663669286 471466301 /nfs/dbraw/zinc/46/63/01/471466301.db2.gz WFFLKXBIBFNMEC-ROUUACIJSA-N 2 0 336.524 2.421 10 30 EEEERP C=CC[C@]1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662701984 472214533 /nfs/dbraw/zinc/21/45/33/472214533.db2.gz VVDRUJBKHDNFAB-TZIWHRDSSA-N 2 0 341.499 2.366 10 30 EEEERP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001485656121 1191874562 /nfs/dbraw/zinc/87/45/62/1191874562.db2.gz BXILHXIBVUSRGL-OTWHNJEPSA-N 2 0 331.504 2.102 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)C[N@H+](C)C1CCC1 ZINC001691347571 1177944655 /nfs/dbraw/zinc/94/46/55/1177944655.db2.gz GVYQUKHCIBKOBU-UHFFFAOYSA-N 2 0 347.890 2.224 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC[C@@H](C)F)C2)CC1 ZINC001267114142 1178275081 /nfs/dbraw/zinc/27/50/81/1178275081.db2.gz BUPVKOYIYHZBFE-AEFFLSMTSA-N 2 0 337.483 2.003 10 30 EEEERP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750947512 1178621801 /nfs/dbraw/zinc/62/18/01/1178621801.db2.gz YXLBEMQBGNIHNO-CVEARBPZSA-N 2 0 327.488 2.459 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC#Cc2ccccc2)CCCC1 ZINC001267834266 1180605737 /nfs/dbraw/zinc/60/57/37/1180605737.db2.gz USFFBTDFOGJQKR-IBGZPJMESA-N 2 0 339.483 2.151 10 30 EEEERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC001481346763 1181084146 /nfs/dbraw/zinc/08/41/46/1181084146.db2.gz CFAVTIINKWTUBC-LJQANCHMSA-N 2 0 342.487 2.369 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001481494581 1181562157 /nfs/dbraw/zinc/56/21/57/1181562157.db2.gz VPWDVSKEDGIQRQ-HKUYNNGSSA-N 2 0 331.504 2.197 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC001481817090 1182734779 /nfs/dbraw/zinc/73/47/79/1182734779.db2.gz SMIQXCZGIVTQRQ-RBUKOAKNSA-N 2 0 342.487 2.417 10 30 EEEERP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001482020269 1183145317 /nfs/dbraw/zinc/14/53/17/1183145317.db2.gz AJCWVPBWXVFWHQ-UFYCRDLUSA-N 2 0 341.499 2.395 10 30 EEEERP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268591286 1183392194 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C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001484373061 1191318790 /nfs/dbraw/zinc/31/87/90/1191318790.db2.gz UQWVLBNVJKBJTR-ZBFHGGJFSA-N 2 0 339.911 2.299 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC/C=C/CC)C[C@@H]3C2)CC1 ZINC001484415059 1191341725 /nfs/dbraw/zinc/34/17/25/1191341725.db2.gz MSGZJGADCUZNFX-VGIQHARFSA-N 2 0 343.515 2.078 10 30 EEEERP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001484470593 1191375017 /nfs/dbraw/zinc/37/50/17/1191375017.db2.gz KSLDMIOTCQNGDW-YESZJQIVSA-N 2 0 325.472 2.165 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001484532975 1191401753 /nfs/dbraw/zinc/40/17/53/1191401753.db2.gz QWTIJPIHTMJBMG-GOSISDBHSA-N 2 0 341.499 2.256 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CCO1 ZINC001484693184 1191469065 /nfs/dbraw/zinc/46/90/65/1191469065.db2.gz DEJWUPMLVVTNLI-RTBURBONSA-N 2 0 345.487 2.073 10 30 EEEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001484818953 1191539353 /nfs/dbraw/zinc/53/93/53/1191539353.db2.gz FBYHXXTZIQOHJZ-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485081582 1191650439 /nfs/dbraw/zinc/65/04/39/1191650439.db2.gz GBAZPRALBHTHNX-HOTGVXAUSA-N 2 0 327.900 2.251 10 30 EEEERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485156292 1191668275 /nfs/dbraw/zinc/66/82/75/1191668275.db2.gz GITVHTGCXKKYQF-UONOGXRCSA-N 2 0 346.450 2.164 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001485167098 1191677130 /nfs/dbraw/zinc/67/71/30/1191677130.db2.gz UHFYCJISPUDBDR-CVEARBPZSA-N 2 0 340.471 2.169 10 30 EEEERP CCCC[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485468327 1191796102 /nfs/dbraw/zinc/79/61/02/1191796102.db2.gz KMSIAYCTIWHXGA-VQTJNVASSA-N 2 0 341.499 2.397 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)C[NH+]1CCC(C)CC1 ZINC001273090113 1194377495 /nfs/dbraw/zinc/37/74/95/1194377495.db2.gz IAOLLDKCTGLWOM-KRWDZBQOSA-N 2 0 342.487 2.275 10 30 EEEERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001273130759 1194414556 /nfs/dbraw/zinc/41/45/56/1194414556.db2.gz DOVUSEFZQVGLAI-CRAIPNDOSA-N 2 0 330.476 2.129 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CCC2CCCC2)CC1 ZINC001273203078 1197507923 /nfs/dbraw/zinc/50/79/23/1197507923.db2.gz GSCHMCWMGUEUOC-KRWDZBQOSA-N 2 0 333.520 2.396 10 30 EEEERP C[NH+](C)C[C@@H]1CN(c2nc3ccccc3cc2C#N)C[C@H]1C[NH+](C)C ZINC000866012620 1198454133 /nfs/dbraw/zinc/45/41/33/1198454133.db2.gz LBURKXLRQNRDNS-QZTJIDSGSA-N 2 0 337.471 2.282 10 30 EEEERP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1 ZINC001410995090 1198672228 /nfs/dbraw/zinc/67/22/28/1198672228.db2.gz SITVOQUEUYKBNG-SFHVURJKSA-N 2 0 342.487 2.227 10 30 EEEERP C=C(Br)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001411097086 1198783846 /nfs/dbraw/zinc/78/38/46/1198783846.db2.gz JFCDFURIPGEBBD-CYBMUJFWSA-N 2 0 346.313 2.063 10 30 EEEERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CC#Cc1ccc(Cl)cc1 ZINC001276001914 1205628637 /nfs/dbraw/zinc/62/86/37/1205628637.db2.gz IISNIAWWVYECBQ-NVXWUHKLSA-N 2 0 347.890 2.080 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000925062628 1206066431 /nfs/dbraw/zinc/06/64/31/1206066431.db2.gz YNONOKQDWORPKH-UHFFFAOYSA-N 2 0 346.519 2.180 10 30 EEEERP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001491018311 1258574766 /nfs/dbraw/zinc/57/47/66/1258574766.db2.gz DJRNNYYUQVLKDV-OKZBNKHCSA-N 2 0 349.519 2.080 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001491261341 1258860007 /nfs/dbraw/zinc/86/00/07/1258860007.db2.gz QOFZOONOLYACDH-LJQANCHMSA-N 2 0 345.462 2.100 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001278200331 1306282818 /nfs/dbraw/zinc/28/28/18/1306282818.db2.gz DIDXFFLYOGLWNA-IBGZPJMESA-N 2 0 345.531 2.445 10 30 EEEERP 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C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001676480450 1357155541 /nfs/dbraw/zinc/15/55/41/1357155541.db2.gz BNPVHVIWPZCEQE-RDJZCZTQSA-N 2 0 347.890 2.080 10 30 EEEERP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001641479341 1352721720 /nfs/dbraw/zinc/72/17/20/1352721720.db2.gz YKTPYQPISOPFRI-LJQANCHMSA-N 2 0 329.488 2.473 10 30 EEEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001656571859 1354249042 /nfs/dbraw/zinc/24/90/42/1354249042.db2.gz VZEWMYYCZDEPHA-GJYPPUQNSA-N 2 0 337.483 2.049 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]([N@@H+](C)CC)C1)C(C)C ZINC001665702009 1355364531 /nfs/dbraw/zinc/36/45/31/1355364531.db2.gz ULYOFMJEHLLNNZ-ZWKOTPCHSA-N 2 0 336.524 2.421 10 30 EEEERP C#CCC[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001666031531 1355428606 /nfs/dbraw/zinc/42/86/06/1355428606.db2.gz CBAHTEODOOEMDQ-HXUWFJFHSA-N 2 0 331.504 2.006 10 30 EEEERP 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1356978587 /nfs/dbraw/zinc/97/85/87/1356978587.db2.gz HEXXIELLFAFTTE-HXUWFJFHSA-N 2 0 349.519 2.132 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12)C(C)C ZINC001681567419 1358033354 /nfs/dbraw/zinc/03/33/54/1358033354.db2.gz FAQWKOOOTHBNKL-NCXUSEDFSA-N 2 0 348.535 2.324 10 30 EEEERP C#CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000919143377 769636996 /nfs/dbraw/zinc/63/69/96/769636996.db2.gz HXKGXSUKCHIRLG-KRWDZBQOSA-N 2 0 336.524 2.092 10 30 EEEERP C#CCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000913874051 794455153 /nfs/dbraw/zinc/45/51/53/794455153.db2.gz BMVHGMBYRVPPQU-INIZCTEOSA-N 2 0 348.516 2.090 10 30 EEEERP C#CC[N@H+](C)CCCNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000922627240 801543331 /nfs/dbraw/zinc/54/33/31/801543331.db2.gz KXLBAEQANMSZAK-UHFFFAOYSA-N 2 0 334.508 2.038 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001437311875 1089469993 /nfs/dbraw/zinc/46/99/93/1089469993.db2.gz NEMMUTVRXTZLBJ-CVEARBPZSA-N 2 0 327.900 2.440 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC12CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001441147235 1094486618 /nfs/dbraw/zinc/48/66/18/1094486618.db2.gz YTKBPCVUCJCRDO-INIZCTEOSA-N 2 0 346.500 2.042 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](C)Cc1ccc(F)c(C#N)c1 ZINC001442601522 1096970853 /nfs/dbraw/zinc/97/08/53/1096970853.db2.gz HLFYTWPBXXTLNE-GASCZTMLSA-N 2 0 346.450 2.118 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001443242476 1097712154 /nfs/dbraw/zinc/71/21/54/1097712154.db2.gz JCJLMROGDAKWJJ-HOTGVXAUSA-N 2 0 327.900 2.442 10 30 EEEERP C#CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001479615921 1098640751 /nfs/dbraw/zinc/64/07/51/1098640751.db2.gz YXGHFUPOYFWZSK-BHIYHBOVSA-N 2 0 331.504 2.099 10 30 EEEERP C=C(Cl)C[NH+]1CCC(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001444219933 1098776952 /nfs/dbraw/zinc/77/69/52/1098776952.db2.gz DWWPEWRVFOQWME-UHFFFAOYSA-N 2 0 325.884 2.053 10 30 EEEERP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001479835103 1099118538 /nfs/dbraw/zinc/11/85/38/1099118538.db2.gz UNCWXSNRALYDQE-VQIMIIECSA-N 2 0 327.472 2.354 10 30 EEEERP C=C(Br)C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001447570900 1102885443 /nfs/dbraw/zinc/88/54/43/1102885443.db2.gz QPZUVLIOUXMYHI-UHFFFAOYSA-N 2 0 346.313 2.206 10 30 EEEERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001447883355 1103512488 /nfs/dbraw/zinc/51/24/88/1103512488.db2.gz JZVMLHPKZLPPOT-JKSUJKDBSA-N 2 0 342.487 2.415 10 30 EEEERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060659 1103917907 /nfs/dbraw/zinc/91/79/07/1103917907.db2.gz JKFCJXGJDFIYSU-RDTXWAMCSA-N 2 0 346.450 2.118 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001498197901 1107068294 /nfs/dbraw/zinc/06/82/94/1107068294.db2.gz ZRUYKASBOJUCED-ZWKOTPCHSA-N 2 0 341.499 2.496 10 30 EEEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001499492268 1112320588 /nfs/dbraw/zinc/32/05/88/1112320588.db2.gz UREUONWSIJJXMQ-MSRNWOCLSA-N 2 0 331.504 2.386 10 30 EEEERP C#CCC[NH+]1CCC(C)(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001499997930 1112571726 /nfs/dbraw/zinc/57/17/26/1112571726.db2.gz XLJBLCZJFURCHX-LJQANCHMSA-N 2 0 337.483 2.193 10 30 EEEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001501671274 1113426327 /nfs/dbraw/zinc/42/63/27/1113426327.db2.gz WKTGHZVAJJPWCV-IAGOWNOFSA-N 2 0 327.472 2.241 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCO1 ZINC001502079858 1113580066 /nfs/dbraw/zinc/58/00/66/1113580066.db2.gz YJWLRTADYAUYTO-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]CC#Cc1ccccc1 ZINC001568207566 1124355323 /nfs/dbraw/zinc/35/53/23/1124355323.db2.gz CGYPUVUWMWRTDU-IBGZPJMESA-N 2 0 341.499 2.256 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001568220031 1124363646 /nfs/dbraw/zinc/36/36/46/1124363646.db2.gz IHEVUZLGSGTWDB-OALUTQOASA-N 2 0 349.519 2.177 10 30 EEEERP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001569170132 1125143082 /nfs/dbraw/zinc/14/30/82/1125143082.db2.gz RCPAXNLYLGLKRV-WOJBJXKFSA-N 2 0 341.499 2.059 10 30 EEEERP OCC[C@@H]1CCCCC[NH+]1CC#CC[N@H+]1CCCCC[C@H]1CCO ZINC000342055042 539830662 /nfs/dbraw/zinc/83/06/62/539830662.db2.gz YEPOSCIYXGKHRD-PMACEKPBSA-N 2 0 336.520 2.244 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000594424659 468582839 /nfs/dbraw/zinc/58/28/39/468582839.db2.gz HMGQCXLYMMTVKL-GOSISDBHSA-N 2 0 328.460 2.132 10 30 EEEERP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]2CCCC2)o1 ZINC000594439272 468587838 /nfs/dbraw/zinc/58/78/38/468587838.db2.gz UQHYRBAFBZWEOR-JKSUJKDBSA-N 2 0 332.448 2.252 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000594444379 468590456 /nfs/dbraw/zinc/59/04/56/468590456.db2.gz QCUXLHGASAXIOT-JQHSSLGASA-N 2 0 346.450 2.046 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000594445964 468591947 /nfs/dbraw/zinc/59/19/47/468591947.db2.gz OBRUYAYGOHUZON-ZWKOTPCHSA-N 2 0 328.460 2.351 10 30 EEEERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000596655876 469323729 /nfs/dbraw/zinc/32/37/29/469323729.db2.gz YYPFDPGZNSAROP-OAHLLOKOSA-N 2 0 328.460 2.199 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C(C)C ZINC000173927435 527648458 /nfs/dbraw/zinc/64/84/58/527648458.db2.gz LKWZPHAYUADPRN-RBUKOAKNSA-N 2 0 346.519 2.341 10 30 EEEERP C[NH+]=C(NCc1sc(C)nc1C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000089070511 692524471 /nfs/dbraw/zinc/52/44/71/692524471.db2.gz BYZUVIFJBGCYCB-GOOCMWNKSA-N 2 0 335.521 2.440 10 30 EEEERP C#CC[NH2+]CCCCCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001692161507 1178008612 /nfs/dbraw/zinc/00/86/12/1178008612.db2.gz IIXGOCQRXISFAD-LJQANCHMSA-N 2 0 339.499 2.441 10 30 EEEERP C[NH+](C)CCCC(=O)NCC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001267570794 1179425422 /nfs/dbraw/zinc/42/54/22/1179425422.db2.gz SKXZNQNRMWOUCY-FQEVSTJZSA-N 2 0 341.499 2.208 10 30 EEEERP CC[N@H+](C)CCC(=O)N(C)CCN(C)CC#Cc1ccccc1Cl ZINC001268254806 1182085313 /nfs/dbraw/zinc/08/53/13/1182085313.db2.gz ZRZISKFLKGPBTR-UHFFFAOYSA-N 2 0 349.906 2.424 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268295233 1182186270 /nfs/dbraw/zinc/18/62/70/1182186270.db2.gz QVGJQKCJRQLTAC-RBUKOAKNSA-N 2 0 327.472 2.260 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001269799354 1184628001 /nfs/dbraw/zinc/62/80/01/1184628001.db2.gz USEBMFQNBIDBOF-LJQANCHMSA-N 2 0 333.520 2.494 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001270295503 1184993883 /nfs/dbraw/zinc/99/38/83/1184993883.db2.gz ATEYGGHHUXVEHH-TVPLGVNVSA-N 2 0 331.504 2.053 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C1CCCC1 ZINC001270421536 1185092137 /nfs/dbraw/zinc/09/21/37/1185092137.db2.gz DYJKIINUFATCLB-HXUWFJFHSA-N 2 0 341.499 2.302 10 30 EEEERP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001279112511 1185433173 /nfs/dbraw/zinc/43/31/73/1185433173.db2.gz IVBXBLSGWVDRAN-SJORKVTESA-N 2 0 333.520 2.347 10 30 EEEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001271335462 1186145961 /nfs/dbraw/zinc/14/59/61/1186145961.db2.gz VICKCUANOXXTAW-IPMKNSEASA-N 2 0 333.520 2.395 10 30 EEEERP CC#CC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001271619055 1186339248 /nfs/dbraw/zinc/33/92/48/1186339248.db2.gz RPJBVFVJIIUCLN-HOCLYGCPSA-N 2 0 333.501 2.131 10 30 EEEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001271806283 1186504459 /nfs/dbraw/zinc/50/44/59/1186504459.db2.gz LCQYKPBXEAOLCH-IBGZPJMESA-N 2 0 327.472 2.112 10 30 EEEERP C#CC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCCC1 ZINC001670973752 1193536549 /nfs/dbraw/zinc/53/65/49/1193536549.db2.gz FQUGQFFVQASZOU-LJQANCHMSA-N 2 0 331.504 2.102 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483226751 1189478960 /nfs/dbraw/zinc/47/89/60/1189478960.db2.gz HYEFHUKMZPWXCW-XJKSGUPXSA-N 2 0 334.489 2.087 10 30 EEEERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001409400607 1189625728 /nfs/dbraw/zinc/62/57/28/1189625728.db2.gz VUDFJJGXORPCRF-UONOGXRCSA-N 2 0 346.450 2.164 10 30 EEEERP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C2 ZINC001484391009 1191325516 /nfs/dbraw/zinc/32/55/16/1191325516.db2.gz HHQBUQRMJKPLEZ-IEWDOMPSSA-N 2 0 331.504 2.242 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001485038473 1191627766 /nfs/dbraw/zinc/62/77/66/1191627766.db2.gz WXIFAJZBRIMQMW-KRWDZBQOSA-N 2 0 339.443 2.428 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273019249 1194326087 /nfs/dbraw/zinc/32/60/87/1194326087.db2.gz TYHBXOBYEMDAHR-LSDHHAIUSA-N 2 0 346.450 2.024 10 30 EEEERP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000872223803 1198097020 /nfs/dbraw/zinc/09/70/20/1198097020.db2.gz YDCOGBCFMBNIJO-SFHVURJKSA-N 2 0 337.508 2.158 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000876741328 1199750918 /nfs/dbraw/zinc/75/09/18/1199750918.db2.gz QMUWJAXZAMDKPY-DLBZAZTESA-N 2 0 335.879 2.137 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CC#Cc2ccccc2)CC1 ZINC001274363368 1205008693 /nfs/dbraw/zinc/00/86/93/1205008693.db2.gz LZVJGWJVCYVUAS-LJQANCHMSA-N 2 0 339.483 2.103 10 30 EEEERP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001275609220 1205442475 /nfs/dbraw/zinc/44/24/75/1205442475.db2.gz NHXZZMZIELQJQL-JCYILVPMSA-N 2 0 325.472 2.049 10 30 EEEERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc(C#N)ccn1 ZINC000903047448 1239614977 /nfs/dbraw/zinc/61/49/77/1239614977.db2.gz OFOQJDGXAJZVSE-OAHLLOKOSA-N 2 0 328.460 2.495 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001491113271 1258691476 /nfs/dbraw/zinc/69/14/76/1258691476.db2.gz DTYNDVKTVGBLJQ-SFHVURJKSA-N 2 0 333.520 2.350 10 30 EEEERP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001491222907 1258802764 /nfs/dbraw/zinc/80/27/64/1258802764.db2.gz SSQNJJCGVMZXKU-HXUWFJFHSA-N 2 0 341.499 2.155 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273555061 1279789748 /nfs/dbraw/zinc/78/97/48/1279789748.db2.gz VDERRFVQNTWHKP-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001489270827 1290498232 /nfs/dbraw/zinc/49/82/32/1290498232.db2.gz CMNDELRAHBVAEB-NEWSRXKRSA-N 2 0 349.519 2.175 10 30 EEEERP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001490594683 1291495899 /nfs/dbraw/zinc/49/58/99/1291495899.db2.gz HUBJBNVCDCAEFT-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[C@@H](NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000853909459 1292522340 /nfs/dbraw/zinc/52/23/40/1292522340.db2.gz CKJZOEAHRUPXJV-PKOBYXMFSA-N 2 0 344.503 2.322 10 30 EEEERP C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)CC2 ZINC001276921840 1300274008 /nfs/dbraw/zinc/27/40/08/1300274008.db2.gz PFBIDKMYLKZBOQ-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C[NH2+]CCC(C)C)C2CC2)CC1 ZINC001277735497 1304295171 /nfs/dbraw/zinc/29/51/71/1304295171.db2.gz OQJYDVUOKVIXHR-IBGZPJMESA-N 2 0 333.520 2.204 10 30 EEEERP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001277913217 1305067379 /nfs/dbraw/zinc/06/73/79/1305067379.db2.gz CVDSCSDGVHUANP-MRXNPFEDSA-N 2 0 349.906 2.470 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001278495515 1310792636 /nfs/dbraw/zinc/79/26/36/1310792636.db2.gz VBQXZEXXQPFJHZ-HSALFYBXSA-N 2 0 345.531 2.347 10 30 EEEERP C#CC[NH2+][C@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1(C)C ZINC001278685160 1317707871 /nfs/dbraw/zinc/70/78/71/1317707871.db2.gz SXPXJTLLPRSUKI-ZWKOTPCHSA-N 2 0 327.472 2.139 10 30 EEEERP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266241899 1323830633 /nfs/dbraw/zinc/83/06/33/1323830633.db2.gz VVDDNSDPVZIRGL-HOTGVXAUSA-N 2 0 327.900 2.442 10 30 EEEERP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001279231303 1323854050 /nfs/dbraw/zinc/85/40/50/1323854050.db2.gz YYTNUNZNFKRNBQ-BCDXTJNWSA-N 2 0 331.504 2.243 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001280309239 1324153157 /nfs/dbraw/zinc/15/31/57/1324153157.db2.gz ZVEXLFWLMMRVEX-MOPGFXCFSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001281905547 1325505344 /nfs/dbraw/zinc/50/53/44/1325505344.db2.gz LHMARMFZWSWJJH-QZTJIDSGSA-N 2 0 327.472 2.276 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001282191164 1325646963 /nfs/dbraw/zinc/64/69/63/1325646963.db2.gz GNUFXLIHRKYLLQ-MSOLQXFVSA-N 2 0 343.515 2.499 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]CCC(=C)C)CC1 ZINC001282335724 1325694612 /nfs/dbraw/zinc/69/46/12/1325694612.db2.gz RZJUSVZKSVGSHR-UHFFFAOYSA-N 2 0 333.520 2.372 10 30 EEEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001283503801 1326102633 /nfs/dbraw/zinc/10/26/33/1326102633.db2.gz WUUDEHQKRWVEDT-PKOBYXMFSA-N 2 0 331.504 2.101 10 30 EEEERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@H]1C ZINC001283925106 1326322476 /nfs/dbraw/zinc/32/24/76/1326322476.db2.gz BZWLZIDWVSDLRK-UYAOXDASSA-N 2 0 341.499 2.349 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001284227527 1326467033 /nfs/dbraw/zinc/46/70/33/1326467033.db2.gz QYRZWACQGCEAIN-HKUYNNGSSA-N 2 0 327.472 2.260 10 30 EEEERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001316830788 1331920736 /nfs/dbraw/zinc/92/07/36/1331920736.db2.gz QXOIGGBIZWKTRI-IBGZPJMESA-N 2 0 347.478 2.202 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC/C=C/CC)CC1 ZINC001317514109 1332276385 /nfs/dbraw/zinc/27/63/85/1332276385.db2.gz UCMSHMFOBPZYBU-UEKDZROGSA-N 2 0 331.504 2.269 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC001319005320 1332635521 /nfs/dbraw/zinc/63/55/21/1332635521.db2.gz AZHBLWZAIHVRDN-UHFFFAOYSA-N 2 0 335.451 2.401 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCC(=C)C)CC1 ZINC001320185699 1332845323 /nfs/dbraw/zinc/84/53/23/1332845323.db2.gz RVGAFLOSIAOGLT-RTBURBONSA-N 2 0 331.504 2.172 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001320612550 1332920707 /nfs/dbraw/zinc/92/07/07/1332920707.db2.gz BVJYFKRHQZBPCQ-BBRMVZONSA-N 2 0 336.505 2.190 10 30 EEEERP C=CCOCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001323706178 1333521190 /nfs/dbraw/zinc/52/11/90/1333521190.db2.gz YJZINKVWIMMJBT-QYZOEREBSA-N 2 0 349.519 2.129 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001325655625 1333933984 /nfs/dbraw/zinc/93/39/84/1333933984.db2.gz HEYWYYPGGIBANC-FHWLQOOXSA-N 2 0 333.520 2.395 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001328805258 1334524948 /nfs/dbraw/zinc/52/49/48/1334524948.db2.gz DRGVIJZEYWKZRG-RBUKOAKNSA-N 2 0 333.520 2.302 10 30 EEEERP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[NH+]1CCCC1 ZINC001330975613 1334939029 /nfs/dbraw/zinc/93/90/29/1334939029.db2.gz BIQFKESWJAXNIL-MRXNPFEDSA-N 2 0 328.460 2.029 10 30 EEEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001331289958 1334991323 /nfs/dbraw/zinc/99/13/23/1334991323.db2.gz OMOFFJPLVZDUSS-OALUTQOASA-N 2 0 331.504 2.243 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001566900732 1342648521 /nfs/dbraw/zinc/64/85/21/1342648521.db2.gz ZJEVIXWHWFRKBC-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]CC#Cc1ccccc1 ZINC001676433498 1357150028 /nfs/dbraw/zinc/15/00/28/1357150028.db2.gz CCNXEQJYYNVRSH-GOSISDBHSA-N 2 0 341.499 2.207 10 30 EEEERP CCN(CCCNC(=O)C[NH+]1CCCC1)Cc1cc(F)ccc1C#N ZINC001660627981 1354503466 /nfs/dbraw/zinc/50/34/66/1354503466.db2.gz IPWYSKRSOWPHGO-UHFFFAOYSA-N 2 0 346.450 2.121 10 30 EEEERP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001662813726 1354852195 /nfs/dbraw/zinc/85/21/95/1354852195.db2.gz GHAHTRMQKIGWHX-LJQANCHMSA-N 2 0 329.488 2.044 10 30 EEEERP C#CCC[NH2+]C[C@](C)(NC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001666031530 1355428234 /nfs/dbraw/zinc/42/82/34/1355428234.db2.gz CBAHTEODOOEMDQ-FQEVSTJZSA-N 2 0 331.504 2.006 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001669664094 1356191109 /nfs/dbraw/zinc/19/11/09/1356191109.db2.gz CKKDTGDHUWQBQV-CVEARBPZSA-N 2 0 347.890 2.128 10 30 EEEERP C=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)CC2 ZINC001675707640 1357041485 /nfs/dbraw/zinc/04/14/85/1357041485.db2.gz LSPIUQYZJHWNNM-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698792019 1405067070 /nfs/dbraw/zinc/06/70/70/1405067070.db2.gz JDKPIRNFNANELY-SJORKVTESA-N 2 0 339.524 2.136 10 30 EEEERP C#CC[NH+]1CC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026717 779736003 /nfs/dbraw/zinc/73/60/03/779736003.db2.gz MRUFFNPVGBSOMI-DNVCBOLYSA-N 2 0 337.483 2.049 10 30 EEEERP C#CCN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914099939 794873450 /nfs/dbraw/zinc/87/34/50/794873450.db2.gz NUJLVFVBPGRJGI-SFHVURJKSA-N 2 0 348.535 2.238 10 30 EEEERP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001438310935 1090789350 /nfs/dbraw/zinc/78/93/50/1090789350.db2.gz NCTSQWADWLEMBX-RBUKOAKNSA-N 2 0 342.487 2.417 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH2+]Cc1ccccc1C#N)C1CC1 ZINC001438430192 1090928814 /nfs/dbraw/zinc/92/88/14/1090928814.db2.gz ZNTQHCIVIXOEMU-HXUWFJFHSA-N 2 0 342.487 2.273 10 30 EEEERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001440796691 1094038573 /nfs/dbraw/zinc/03/85/73/1094038573.db2.gz KZCPZVOOYMYEPA-STQMWFEESA-N 2 0 334.489 2.087 10 30 EEEERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001440800702 1094044562 /nfs/dbraw/zinc/04/45/62/1094044562.db2.gz RFGHOQFILQEIQS-LSDHHAIUSA-N 2 0 328.460 2.025 10 30 EEEERP C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001440986682 1094251461 /nfs/dbraw/zinc/25/14/61/1094251461.db2.gz GJIHKEKHQQVBSU-QFBILLFUSA-N 2 0 342.487 2.369 10 30 EEEERP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccccc1C#N ZINC001442283692 1096595875 /nfs/dbraw/zinc/59/58/75/1096595875.db2.gz CPLOCEHVQQTKQS-INIZCTEOSA-N 2 0 342.487 2.417 10 30 EEEERP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001479668561 1098714169 /nfs/dbraw/zinc/71/41/69/1098714169.db2.gz HCTVQUVYEDYRHU-MOPGFXCFSA-N 2 0 345.531 2.445 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001480458392 1100263579 /nfs/dbraw/zinc/26/35/79/1100263579.db2.gz DDRUYBCSUBSFFN-KDOFPFPSSA-N 2 0 346.450 2.164 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cccc(Cl)c1 ZINC001496718377 1101331697 /nfs/dbraw/zinc/33/16/97/1101331697.db2.gz NOZGDSXLNKPEFP-SFHVURJKSA-N 2 0 347.890 2.328 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001497184522 1102089200 /nfs/dbraw/zinc/08/92/00/1102089200.db2.gz AHZWKIYANHJAPW-UYAOXDASSA-N 2 0 341.499 2.395 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC2CC(C)(C)C2)CC1 ZINC001497330290 1102336151 /nfs/dbraw/zinc/33/61/51/1102336151.db2.gz GHBABGRVFFUOEM-MRXNPFEDSA-N 2 0 333.520 2.252 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001497501557 1102589822 /nfs/dbraw/zinc/58/98/22/1102589822.db2.gz XQSNILZTYMNGIY-HUUCEWRRSA-N 2 0 348.516 2.431 10 30 EEEERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ccc(C#N)cc1 ZINC001493877243 1103018718 /nfs/dbraw/zinc/01/87/18/1103018718.db2.gz SDJOEZFNQNAEEY-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494082374 1103494965 /nfs/dbraw/zinc/49/49/65/1103494965.db2.gz FDICQXBVKSLGPF-RTBURBONSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001494158498 1103619181 /nfs/dbraw/zinc/61/91/81/1103619181.db2.gz AWUDAMIEVPNCAO-IBGZPJMESA-N 2 0 341.499 2.208 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001498197828 1107066203 /nfs/dbraw/zinc/06/62/03/1107066203.db2.gz WWKVENXRWFNZHD-YJBOKZPZSA-N 2 0 328.460 2.027 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC(=C)C)CC1 ZINC001498502077 1107643929 /nfs/dbraw/zinc/64/39/29/1107643929.db2.gz FJKQZVVLIZADIU-RBUKOAKNSA-N 2 0 331.504 2.172 10 30 EEEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001479369387 1110687584 /nfs/dbraw/zinc/68/75/84/1110687584.db2.gz RSULPCLPMPZWEG-KZNAEPCWSA-N 2 0 331.504 2.149 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccccc1C#N)C1CCCC1 ZINC001500107760 1112620581 /nfs/dbraw/zinc/62/05/81/1112620581.db2.gz UWDVQRJPQGDQCG-IBGZPJMESA-N 2 0 342.487 2.275 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCOCC1 ZINC001500573558 1112950139 /nfs/dbraw/zinc/95/01/39/1112950139.db2.gz FIKZNQKBAKOMQJ-ZWKOTPCHSA-N 2 0 349.519 2.225 10 30 EEEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCOCC1 ZINC001500589417 1112959745 /nfs/dbraw/zinc/95/97/45/1112959745.db2.gz BJBRSQORLJNRAW-KRWDZBQOSA-N 2 0 337.508 2.082 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001501698263 1113440387 /nfs/dbraw/zinc/44/03/87/1113440387.db2.gz JARRTFLCXVWCIT-CADBVGFASA-N 2 0 331.504 2.291 10 30 EEEERP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001506861657 1114927982 /nfs/dbraw/zinc/92/79/82/1114927982.db2.gz WGMRPFPIWVDVEI-JYJNAYRXSA-N 2 0 339.911 2.440 10 30 EEEERP CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001507036334 1115072756 /nfs/dbraw/zinc/07/27/56/1115072756.db2.gz VZYJSENWDKSCAW-VQTJNVASSA-N 2 0 341.499 2.205 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC/C=C/CC)C[C@@H]2C)CC1 ZINC001507338245 1115201065 /nfs/dbraw/zinc/20/10/65/1115201065.db2.gz IOCHACIUVJLHSR-BUPXIBQPSA-N 2 0 331.504 2.267 10 30 EEEERP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001507390017 1115247144 /nfs/dbraw/zinc/24/71/44/1115247144.db2.gz QZZFUOQFKRAIII-BHIYHBOVSA-N 2 0 329.488 2.220 10 30 EEEERP C#CCC[NH+]1CCC([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001508067274 1115410037 /nfs/dbraw/zinc/41/00/37/1115410037.db2.gz IEKJOCUSCPENOA-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CCC2CC2)C2CC2)CC1 ZINC001568033855 1124240974 /nfs/dbraw/zinc/24/09/74/1124240974.db2.gz KFQZVSFISVFITN-HXUWFJFHSA-N 2 0 331.504 2.006 10 30 EEEERP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CCC[NH+]1C ZINC000329166355 465254596 /nfs/dbraw/zinc/25/45/96/465254596.db2.gz HSBLTSTYTDXLHW-BMGDILEWSA-N 2 0 345.491 2.386 10 30 EEEERP C=C(C)C[C@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274297064 464740416 /nfs/dbraw/zinc/74/04/16/464740416.db2.gz RHPQCQQDBZIBNR-KRWDZBQOSA-N 2 0 330.476 2.312 10 30 EEEERP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366535900 465787446 /nfs/dbraw/zinc/78/74/46/465787446.db2.gz PSAPWWOTWNRTAT-OWODTTCDSA-N 2 0 346.519 2.333 10 30 EEEERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438652 468586707 /nfs/dbraw/zinc/58/67/07/468586707.db2.gz PHLPYIJAQNJHMS-NEWSRXKRSA-N 2 0 342.487 2.424 10 30 EEEERP CCc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+](C)C)cc1 ZINC000594446451 468593101 /nfs/dbraw/zinc/59/31/01/468593101.db2.gz TVTMWTQTPAHWGX-ZWKOTPCHSA-N 2 0 330.476 2.379 10 30 EEEERP CC1CC[NH+](CCCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600714743 468629894 /nfs/dbraw/zinc/62/98/94/468629894.db2.gz CLPMBHPCNWQBDW-GOSISDBHSA-N 2 0 337.508 2.159 10 30 EEEERP N#CC1(C[C@@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)CCOCC1 ZINC000600729309 468639473 /nfs/dbraw/zinc/63/94/73/468639473.db2.gz XLTXHUQZJUITJP-GOSISDBHSA-N 2 0 337.508 2.304 10 30 EEEERP CCC[N@H+](CC#CCOC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000677818940 486499936 /nfs/dbraw/zinc/49/99/36/486499936.db2.gz LWYSOHBICGPQRP-UHFFFAOYSA-N 2 0 330.476 2.424 10 30 EEEERP CC[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC)N1CC[C@H](c2cnn(C)c2)C1 ZINC000131798656 528809644 /nfs/dbraw/zinc/80/96/44/528809644.db2.gz CKPAGOKCIRAFPQ-WMZOPIPTSA-N 2 0 346.523 2.049 10 30 EEEERP C=C1CCC(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000926550304 679360982 /nfs/dbraw/zinc/36/09/82/679360982.db2.gz KLHYNRGMVSHWNC-QZTJIDSGSA-N 2 0 336.524 2.114 10 30 EEEERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000925608753 684629768 /nfs/dbraw/zinc/62/97/68/684629768.db2.gz JBMFZYOCSIDYDR-DOTOQJQBSA-N 2 0 327.476 2.418 10 30 EEEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485812129 1191972944 /nfs/dbraw/zinc/97/29/44/1191972944.db2.gz ULJWTLKOTOEWEM-AZUAARDMSA-N 2 0 345.531 2.491 10 30 EEEERP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001691188664 1177692117 /nfs/dbraw/zinc/69/21/17/1177692117.db2.gz DHLYMXQMKHNBOY-UHFFFAOYSA-N 2 0 341.499 2.208 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH2+]CCC)CC1 ZINC001691308967 1177879614 /nfs/dbraw/zinc/87/96/14/1177879614.db2.gz JCPSPABBBXJDJF-IEBWSBKVSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001267735409 1180333087 /nfs/dbraw/zinc/33/30/87/1180333087.db2.gz UOBPRCDDSSFWCT-SFHVURJKSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001267916044 1180759102 /nfs/dbraw/zinc/75/91/02/1180759102.db2.gz NTYPVNGLQGJFDG-LJQANCHMSA-N 2 0 333.520 2.491 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001481518284 1181628540 /nfs/dbraw/zinc/62/85/40/1181628540.db2.gz OTBGAZBQONLKEJ-UHFFFAOYSA-N 2 0 342.487 2.180 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001268084160 1181699358 /nfs/dbraw/zinc/69/93/58/1181699358.db2.gz BZPFQDZOAXMGRY-SFHVURJKSA-N 2 0 341.499 2.207 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001482033393 1183179420 /nfs/dbraw/zinc/17/94/20/1183179420.db2.gz JNMJBGLLUFRSAG-UHFFFAOYSA-N 2 0 327.472 2.148 10 30 EEEERP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482109676 1183339303 /nfs/dbraw/zinc/33/93/03/1183339303.db2.gz HIASCWMBTBIYMQ-GXTWGEPZSA-N 2 0 346.313 2.111 10 30 EEEERP CC[C@H](CNC(=O)C[C@@H](C)n1ccnc1)[NH2+]CC#Cc1ccccc1 ZINC001269477167 1184300553 /nfs/dbraw/zinc/30/05/53/1184300553.db2.gz KVAYYNHJTKDTIC-IEBWSBKVSA-N 2 0 338.455 2.370 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC001270017815 1184787275 /nfs/dbraw/zinc/78/72/75/1184787275.db2.gz MPFXWPNMYXJCDA-MXVIHJGJSA-N 2 0 341.499 2.397 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001271021419 1185821222 /nfs/dbraw/zinc/82/12/22/1185821222.db2.gz MLMDYPORZYTEMV-SFHVURJKSA-N 2 0 339.483 2.103 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482862448 1187775212 /nfs/dbraw/zinc/77/52/12/1187775212.db2.gz SOSUKTYVIJBLBN-QAPCUYQASA-N 2 0 328.460 2.027 10 30 EEEERP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482963504 1187898543 /nfs/dbraw/zinc/89/85/43/1187898543.db2.gz WWRWHUFATWBIAJ-GOSISDBHSA-N 2 0 330.476 2.083 10 30 EEEERP O=C(CCC[NH+]1CCCC1)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001483096848 1188471168 /nfs/dbraw/zinc/47/11/68/1188471168.db2.gz FKRURAFUXNLTQY-SNAWJCMRSA-N 2 0 339.483 2.176 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)N(C)Cc1ccccc1C#N ZINC001409568325 1190047993 /nfs/dbraw/zinc/04/79/93/1190047993.db2.gz JRSWIRORQFQWMQ-QFBILLFUSA-N 2 0 342.487 2.369 10 30 EEEERP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001483848198 1191084125 /nfs/dbraw/zinc/08/41/25/1191084125.db2.gz QSQKJAYBHLEGJW-HXUWFJFHSA-N 2 0 331.504 2.200 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC001484011963 1191154802 /nfs/dbraw/zinc/15/48/02/1191154802.db2.gz FOPZQWUNXALRGX-IBGZPJMESA-N 2 0 331.504 2.006 10 30 EEEERP CC#CC[N@@H+]1CCc2c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cccc2C1 ZINC001484612047 1191437147 /nfs/dbraw/zinc/43/71/47/1191437147.db2.gz DNDGTFDOTPEROH-HXUWFJFHSA-N 2 0 341.499 2.270 10 30 EEEERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001485159459 1191673937 /nfs/dbraw/zinc/67/39/37/1191673937.db2.gz XLKYOWQUTDIOJM-JKSUJKDBSA-N 2 0 345.462 2.144 10 30 EEEERP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001486520769 1194042323 /nfs/dbraw/zinc/04/23/23/1194042323.db2.gz IRRSHBQKNNRPGM-ZWKOTPCHSA-N 2 0 349.519 2.058 10 30 EEEERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000872230007 1198100074 /nfs/dbraw/zinc/10/00/74/1198100074.db2.gz USDLBCCLRALIPP-TVRKMHQQSA-N 2 0 331.460 2.150 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000876840166 1199792410 /nfs/dbraw/zinc/79/24/10/1199792410.db2.gz LEZUJRNJHZBPKN-KGLIPLIRSA-N 2 0 328.243 2.283 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000923917094 1205926481 /nfs/dbraw/zinc/92/64/81/1205926481.db2.gz DGVPYVWFCMEKES-LJQANCHMSA-N 2 0 346.519 2.180 10 30 EEEERP COc1ccc(NC(=[NH2+])NCCCC[NH+]2CCOCC2)cc1Cl ZINC000303867642 1213916130 /nfs/dbraw/zinc/91/61/30/1213916130.db2.gz ACDSQNMJXPXSRI-UHFFFAOYSA-N 2 0 340.855 2.188 10 30 EEEERP C[NH+](C)CCOc1ccccc1CNC(=[NH2+])NCCc1cccs1 ZINC000303898678 1213922408 /nfs/dbraw/zinc/92/24/08/1213922408.db2.gz VPPFNPZMRIGNCC-UHFFFAOYSA-N 2 0 346.500 2.336 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001490902329 1254255953 /nfs/dbraw/zinc/25/59/53/1254255953.db2.gz MXWGWOFWYMOUGI-UFYCRDLUSA-N 2 0 339.483 2.149 10 30 EEEERP C#CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001273599454 1280826067 /nfs/dbraw/zinc/82/60/67/1280826067.db2.gz RINLNWALFARJEP-MOPGFXCFSA-N 2 0 333.520 2.302 10 30 EEEERP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001489001126 1290324261 /nfs/dbraw/zinc/32/42/61/1290324261.db2.gz OTNJDOVHNKXPMH-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001489097154 1290369249 /nfs/dbraw/zinc/36/92/49/1290369249.db2.gz UMQPVCKWHGZOOM-UONOGXRCSA-N 2 0 335.414 2.131 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)s1 ZINC001490204099 1290997613 /nfs/dbraw/zinc/99/76/13/1290997613.db2.gz FBMYWMNYGGSCLD-QGZVFWFLSA-N 2 0 348.516 2.432 10 30 EEEERP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001278404357 1310078950 /nfs/dbraw/zinc/07/89/50/1310078950.db2.gz NEVOUWRTMFSWAJ-VQIMIIECSA-N 2 0 327.472 2.007 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001278434718 1310255090 /nfs/dbraw/zinc/25/50/90/1310255090.db2.gz UXVVLJPQNBUZIY-APWZRJJASA-N 2 0 337.508 2.033 10 30 EEEERP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001278667642 1317608536 /nfs/dbraw/zinc/60/85/36/1317608536.db2.gz HFOWHVJVZRCVPH-QFBILLFUSA-N 2 0 330.476 2.240 10 30 EEEERP CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC001278690336 1317745645 /nfs/dbraw/zinc/74/56/45/1317745645.db2.gz PKGPMUZQHLPHAL-GOSISDBHSA-N 2 0 327.472 2.212 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001262007343 1322222328 /nfs/dbraw/zinc/22/23/28/1322222328.db2.gz BQKMGXWKOAPFQJ-OAHLLOKOSA-N 2 0 336.867 2.155 10 30 EEEERP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001263872594 1322543863 /nfs/dbraw/zinc/54/38/63/1322543863.db2.gz PVSGHHNVZZOWQK-VAMGGRTRSA-N 2 0 341.499 2.109 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@H]2CC[NH2+]CC=C)CC1 ZINC001264521325 1322724651 /nfs/dbraw/zinc/72/46/51/1322724651.db2.gz YAJCYWRXMSZQDK-PKOBYXMFSA-N 2 0 331.504 2.124 10 30 EEEERP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001264755123 1322810436 /nfs/dbraw/zinc/81/04/36/1322810436.db2.gz ISAKQCPUGLIXQC-QZTJIDSGSA-N 2 0 333.520 2.347 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCCC=C)C2)C1 ZINC001281088087 1322856322 /nfs/dbraw/zinc/85/63/22/1322856322.db2.gz PITUXMCAOSBQLE-FPOVZHCZSA-N 2 0 343.515 2.365 10 30 EEEERP C[NH+](CC(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001265036322 1322878729 /nfs/dbraw/zinc/87/87/29/1322878729.db2.gz BHCCFJNILBQUQB-UHFFFAOYSA-N 2 0 344.503 2.474 10 30 EEEERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CC#Cc1ccccc1 ZINC001265073317 1322907783 /nfs/dbraw/zinc/90/77/83/1322907783.db2.gz WZPOJHIOPZYOOQ-OALUTQOASA-N 2 0 341.499 2.349 10 30 EEEERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001265813482 1323395446 /nfs/dbraw/zinc/39/54/46/1323395446.db2.gz RURPHAATCXKYEP-UYAOXDASSA-N 2 0 341.499 2.254 10 30 EEEERP C[NH+](C)CCCC(=O)N1CC[C@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC001280173444 1324103456 /nfs/dbraw/zinc/10/34/56/1324103456.db2.gz OJGBXJGWIZFFFG-FQEVSTJZSA-N 2 0 341.499 2.208 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001282773590 1325782140 /nfs/dbraw/zinc/78/21/40/1325782140.db2.gz STEVFMXTBZNCCX-FXAWDEMLSA-N 2 0 349.519 2.129 10 30 EEEERP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001282944348 1325845807 /nfs/dbraw/zinc/84/58/07/1325845807.db2.gz AJTCETMXUBJWKG-FHWLQOOXSA-N 2 0 345.531 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001317471277 1332258085 /nfs/dbraw/zinc/25/80/85/1332258085.db2.gz HQDKWWJXRXUVEK-KRWDZBQOSA-N 2 0 327.472 2.141 10 30 EEEERP C#CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001317875259 1332438525 /nfs/dbraw/zinc/43/85/25/1332438525.db2.gz DHVGYTUEWYNVFV-LJQANCHMSA-N 2 0 333.520 2.302 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001320149674 1332838559 /nfs/dbraw/zinc/83/85/59/1332838559.db2.gz HEHPIDTZXINTSZ-RDJZCZTQSA-N 2 0 339.443 2.332 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001322341386 1333250020 /nfs/dbraw/zinc/25/00/20/1333250020.db2.gz XBHBVSLVXFRGAS-QZTJIDSGSA-N 2 0 331.504 2.150 10 30 EEEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001325740807 1333951321 /nfs/dbraw/zinc/95/13/21/1333951321.db2.gz OMLBRXHEUZMZAG-WNRNVDISSA-N 2 0 339.499 2.411 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001326273599 1334057774 /nfs/dbraw/zinc/05/77/74/1334057774.db2.gz VNKQFGORLULEPB-ROUUACIJSA-N 2 0 331.504 2.102 10 30 EEEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001326468357 1334099343 /nfs/dbraw/zinc/09/93/43/1334099343.db2.gz LGEXYGNNFWVOGZ-INIZCTEOSA-N 2 0 327.472 2.461 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001327173806 1334240025 /nfs/dbraw/zinc/24/00/25/1334240025.db2.gz UGZAOBYQYUPPRL-RTBURBONSA-N 2 0 333.520 2.491 10 30 EEEERP C=CCCC[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCOCC1 ZINC001327671121 1334331096 /nfs/dbraw/zinc/33/10/96/1334331096.db2.gz GYOCMDMEQOKIIV-IRXDYDNUSA-N 2 0 337.508 2.080 10 30 EEEERP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001328808133 1334525833 /nfs/dbraw/zinc/52/58/33/1334525833.db2.gz NPLGFQWNTXESQK-UXHICEINSA-N 2 0 345.531 2.446 10 30 EEEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CN(C)Cc1ccccc1 ZINC001329358320 1334633752 /nfs/dbraw/zinc/63/37/52/1334633752.db2.gz MFNCBBUCEJDEDU-UHFFFAOYSA-N 2 0 329.488 2.216 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001332469994 1335830635 /nfs/dbraw/zinc/83/06/35/1335830635.db2.gz IPCHJGOTJOVJGX-LSDHHAIUSA-N 2 0 347.425 2.275 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001558415724 1342476345 /nfs/dbraw/zinc/47/63/45/1342476345.db2.gz DHMUWQHTZDBXLH-UXHICEINSA-N 2 0 341.499 2.475 10 30 EEEERP C#CC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)c1ccccc1 ZINC001567660536 1342807348 /nfs/dbraw/zinc/80/73/48/1342807348.db2.gz CQCFMQRAVCMQSA-IBGZPJMESA-N 2 0 332.407 2.337 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001570009837 1342998185 /nfs/dbraw/zinc/99/81/85/1342998185.db2.gz OSKLCDLOOXRWLL-GOSISDBHSA-N 2 0 327.472 2.213 10 30 EEEERP C#CC[NH2+][C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccccc1 ZINC001676898862 1357237568 /nfs/dbraw/zinc/23/75/68/1357237568.db2.gz SNQCYMBJNYOWOB-LJQANCHMSA-N 2 0 341.499 2.201 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]C/C=C\Cl)CC1 ZINC001661972085 1354730570 /nfs/dbraw/zinc/73/05/70/1354730570.db2.gz NVYAMGKGMZVXDV-OOYWPUHTSA-N 2 0 337.895 2.055 10 30 EEEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001662878772 1354872932 /nfs/dbraw/zinc/87/29/32/1354872932.db2.gz VWSGAVDWDGFRIF-IBGZPJMESA-N 2 0 327.472 2.308 10 30 EEEERP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001671432749 1356338196 /nfs/dbraw/zinc/33/81/96/1356338196.db2.gz XAPMYHHWBVUKER-QZTJIDSGSA-N 2 0 349.519 2.177 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001672326217 1356501523 /nfs/dbraw/zinc/50/15/23/1356501523.db2.gz BAMNWZLWCVDGLZ-QUCCMNQESA-N 2 0 341.499 2.064 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001672916229 1356614028 /nfs/dbraw/zinc/61/40/28/1356614028.db2.gz OJFYSDBUQLFHDW-JKSUJKDBSA-N 2 0 327.900 2.442 10 30 EEEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001674353186 1356823298 /nfs/dbraw/zinc/82/32/98/1356823298.db2.gz LKERFLVWPVPGSG-FQEVSTJZSA-N 2 0 331.504 2.056 10 30 EEEERP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001675620455 1357016664 /nfs/dbraw/zinc/01/66/64/1357016664.db2.gz BQVXAHXLXQIMRN-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001698717144 1405021920 /nfs/dbraw/zinc/02/19/20/1405021920.db2.gz PCXTWTOBJCUJEA-LJQANCHMSA-N 2 0 327.472 2.146 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001698754310 1405043594 /nfs/dbraw/zinc/04/35/94/1405043594.db2.gz OEERAWHJVOWQGU-OAHLLOKOSA-N 2 0 327.432 2.189 10 30 EEEERP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001699134803 1405284385 /nfs/dbraw/zinc/28/43/85/1405284385.db2.gz HIZIXXPWTPEHAW-QRQLOZEOSA-N 2 0 329.488 2.392 10 30 EEEERP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918001 779540849 /nfs/dbraw/zinc/54/08/49/779540849.db2.gz HZQYIZKTGMIHPC-LJQANCHMSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001565976379 1125480504 /nfs/dbraw/zinc/48/05/04/1125480504.db2.gz WKDJSHFJROVWJK-MJGOQNOKSA-N 2 0 333.520 2.347 10 30 EEEERP C[C@H](C[N@H+](C)Cc1ccc(C#N)c(F)c1)NC(=O)C[NH+](C)C1CCC1 ZINC001439330807 1092015323 /nfs/dbraw/zinc/01/53/23/1092015323.db2.gz KJEGKXVVRQDWMG-CQSZACIVSA-N 2 0 346.450 2.118 10 30 EEEERP C[N@@H+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001479788966 1098992526 /nfs/dbraw/zinc/99/25/26/1098992526.db2.gz IKTVEGJSQLUICL-GOSISDBHSA-N 2 0 347.890 2.224 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CCCC=C)C2)CC1 ZINC001480305523 1100025551 /nfs/dbraw/zinc/02/55/51/1100025551.db2.gz DGQUQSCRXZAPKG-SFHVURJKSA-N 2 0 331.504 2.126 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001446475140 1100900706 /nfs/dbraw/zinc/90/07/06/1100900706.db2.gz GEKAGFSTIYMXRJ-UHFFFAOYSA-N 2 0 342.487 2.369 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1C#N ZINC001496415894 1101008991 /nfs/dbraw/zinc/00/89/91/1101008991.db2.gz RBLILMQPWUKLJN-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001495360983 1101075636 /nfs/dbraw/zinc/07/56/36/1101075636.db2.gz VWSJQTPCYDKLRX-KRWDZBQOSA-N 2 0 338.455 2.498 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001495498072 1101208512 /nfs/dbraw/zinc/20/85/12/1101208512.db2.gz PTZBUUVJJIKZGE-UHFFFAOYSA-N 2 0 327.472 2.292 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCCC1CC[NH+](CCC2CC2)CC1 ZINC001495520770 1101233312 /nfs/dbraw/zinc/23/33/12/1101233312.db2.gz PPTWADXJEISLRZ-IBGZPJMESA-N 2 0 331.504 2.102 10 30 EEEERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001495684889 1101434932 /nfs/dbraw/zinc/43/49/32/1101434932.db2.gz YCELZKPKLBDVQE-APWZRJJASA-N 2 0 342.487 2.275 10 30 EEEERP C#CC[NH2+]C1(CNC(=O)c2ccc(C[NH+](CC)CC)o2)CCCC1 ZINC001495965596 1101850677 /nfs/dbraw/zinc/85/06/77/1101850677.db2.gz OPHAHTHXSZFROH-UHFFFAOYSA-N 2 0 331.460 2.387 10 30 EEEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497229942 1102161645 /nfs/dbraw/zinc/16/16/45/1102161645.db2.gz UEQPMGQZLCQUAR-OAHLLOKOSA-N 2 0 327.432 2.332 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001497547991 1102649241 /nfs/dbraw/zinc/64/92/41/1102649241.db2.gz HPSHDJKQYNRRTM-DCKQQPRJSA-N 2 0 345.874 2.048 10 30 EEEERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001447860160 1103463964 /nfs/dbraw/zinc/46/39/64/1103463964.db2.gz AYVSJAPZLGURMX-GJZGRUSLSA-N 2 0 328.460 2.025 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@@H+](CCCC=C)C2)CC1 ZINC001494082031 1103492696 /nfs/dbraw/zinc/49/26/96/1103492696.db2.gz CIKHFDFLDAEIKO-SFHVURJKSA-N 2 0 331.504 2.126 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001480597514 1106735660 /nfs/dbraw/zinc/73/56/60/1106735660.db2.gz QJLBTVPDKQQAQF-HZPDHXFCSA-N 2 0 345.462 2.326 10 30 EEEERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001498161132 1107004277 /nfs/dbraw/zinc/00/42/77/1107004277.db2.gz SEUBKXPFYMJURM-YOEHRIQHSA-N 2 0 335.879 2.126 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)CCC=C)CC1 ZINC001493160620 1107615847 /nfs/dbraw/zinc/61/58/47/1107615847.db2.gz IUMZSSPSTWWCJM-IEBWSBKVSA-N 2 0 331.504 2.267 10 30 EEEERP C=CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001493415552 1108113329 /nfs/dbraw/zinc/11/33/29/1108113329.db2.gz NLULUNRJQGMEAK-MOPGFXCFSA-N 2 0 327.472 2.098 10 30 EEEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001500523121 1112914959 /nfs/dbraw/zinc/91/49/59/1112914959.db2.gz RCOOCLWILFOWBH-MOPGFXCFSA-N 2 0 337.483 2.050 10 30 EEEERP CC(C)[C@H](C(=O)N[C@@H](C)CCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001506945258 1114993826 /nfs/dbraw/zinc/99/38/26/1114993826.db2.gz TUNTZKLDKHAFPF-AZUAARDMSA-N 2 0 343.515 2.499 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001507396268 1115249851 /nfs/dbraw/zinc/24/98/51/1115249851.db2.gz BVPYHCMYVDBRCT-ZBFHGGJFSA-N 2 0 333.501 2.321 10 30 EEEERP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)CC2 ZINC001568253155 1124387410 /nfs/dbraw/zinc/38/74/10/1124387410.db2.gz ZABDUHPSLTXCIS-LJQANCHMSA-N 2 0 339.483 2.237 10 30 EEEERP CC[C@@H](O)[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872645 465272360 /nfs/dbraw/zinc/27/23/60/465272360.db2.gz GIVPJINMCYAWSV-FGYAAKKASA-N 2 0 336.520 2.241 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)CC1 ZINC000174769904 464448937 /nfs/dbraw/zinc/44/89/37/464448937.db2.gz MWVJKBCSQYGNOA-QZTJIDSGSA-N 2 0 334.508 2.295 10 30 EEEERP C=CCOc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414971459 467458987 /nfs/dbraw/zinc/45/89/87/467458987.db2.gz IRYIRQWZUSRLDY-INIZCTEOSA-N 2 0 343.393 2.177 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527768967 467664934 /nfs/dbraw/zinc/66/49/34/467664934.db2.gz URGXEYFDHHDLRA-GOSISDBHSA-N 2 0 334.508 2.343 10 30 EEEERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439875 468587505 /nfs/dbraw/zinc/58/75/05/468587505.db2.gz VQHQEJHRZDWSKP-MSOLQXFVSA-N 2 0 328.460 2.131 10 30 EEEERP C[NH+](C)C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594438992 468588291 /nfs/dbraw/zinc/58/82/91/468588291.db2.gz XZYSTHVJNNIKOY-HOTGVXAUSA-N 2 0 336.867 2.470 10 30 EEEERP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000600721954 468635638 /nfs/dbraw/zinc/63/56/38/468635638.db2.gz OCFKAVIFAYIATB-RTBURBONSA-N 2 0 327.472 2.195 10 30 EEEERP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599358553 469225485 /nfs/dbraw/zinc/22/54/85/469225485.db2.gz FBWWKGKVMRLZKM-LNLFQRSKSA-N 2 0 349.519 2.300 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000899952480 693938538 /nfs/dbraw/zinc/93/85/38/693938538.db2.gz HDPUCWNISRTSSD-IBGZPJMESA-N 2 0 345.487 2.456 10 30 EEEERP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262784231 688457948 /nfs/dbraw/zinc/45/79/48/688457948.db2.gz LZNHNXNMOZRVPC-ZAXTYVKMSA-N 2 0 336.524 2.108 10 30 EEEERP C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262804968 688517414 /nfs/dbraw/zinc/51/74/14/688517414.db2.gz SGTPNLDNQCUAIL-YJBOKZPZSA-N 2 0 336.524 2.110 10 30 EEEERP C#CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](CC2CC2)CC1 ZINC001671508491 1176866119 /nfs/dbraw/zinc/86/61/19/1176866119.db2.gz ZYBJNTPQJQSEBC-IAGOWNOFSA-N 2 0 331.504 2.195 10 30 EEEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001691114804 1177605140 /nfs/dbraw/zinc/60/51/40/1177605140.db2.gz WSNUZFLFAGSOEE-RVKKMQEKSA-N 2 0 325.472 2.259 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CCc2ccccc2)CC1 ZINC001267154935 1178338220 /nfs/dbraw/zinc/33/82/20/1178338220.db2.gz NHNCUFHRRAQDPX-GOSISDBHSA-N 2 0 341.499 2.059 10 30 EEEERP C=CCCC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001267376171 1178912080 /nfs/dbraw/zinc/91/20/80/1178912080.db2.gz AQRLUYIVNPWTGU-GOSISDBHSA-N 2 0 327.472 2.496 10 30 EEEERP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001481151570 1179930159 /nfs/dbraw/zinc/93/01/59/1179930159.db2.gz KUBNVPWDAMUDGG-HXUWFJFHSA-N 2 0 341.499 2.208 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CC2CCCC2)C2CC2)CC1 ZINC001267865222 1180652735 /nfs/dbraw/zinc/65/27/35/1180652735.db2.gz UZTZHUBLAVUPBO-NRFANRHFSA-N 2 0 345.531 2.396 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001268183118 1181971816 /nfs/dbraw/zinc/97/18/16/1181971816.db2.gz YOKJUWKLLLMEKR-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001284376647 1183887069 /nfs/dbraw/zinc/88/70/69/1183887069.db2.gz WSQPEVXTDLMRCK-KGLIPLIRSA-N 2 0 335.414 2.129 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001269797878 1184626919 /nfs/dbraw/zinc/62/69/19/1184626919.db2.gz DTKNZZBDORXJAG-MOPGFXCFSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)C(C)(C)n1cnc(C)c1)C1CCCCC1 ZINC001271341517 1186150076 /nfs/dbraw/zinc/15/00/76/1186150076.db2.gz QYXPPGBIUOEDJK-KRWDZBQOSA-N 2 0 330.476 2.215 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001271528980 1186293291 /nfs/dbraw/zinc/29/32/91/1186293291.db2.gz DJBNWHXEULCGIZ-UYAOXDASSA-N 2 0 341.499 2.011 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001279150889 1187908967 /nfs/dbraw/zinc/90/89/67/1187908967.db2.gz YNPLFGLYRPYBHA-ICSRJNTNSA-N 2 0 343.515 2.421 10 30 EEEERP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)CCCC[NH+](C)C ZINC001486092986 1193679098 /nfs/dbraw/zinc/67/90/98/1193679098.db2.gz SLCAKGDNRGLXKV-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC#Cc1ccccc1)CC2 ZINC001486143655 1193695627 /nfs/dbraw/zinc/69/56/27/1193695627.db2.gz CALNCQFTVRKMOV-PZJWPPBQSA-N 2 0 339.483 2.103 10 30 EEEERP C#CCC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001484926150 1191573173 /nfs/dbraw/zinc/57/31/73/1191573173.db2.gz JNMUTHRQSYJXTC-UHFFFAOYSA-N 2 0 331.504 2.102 10 30 EEEERP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001485042971 1191623731 /nfs/dbraw/zinc/62/37/31/1191623731.db2.gz HEXLVRPPEHPQPF-FBBABVLZSA-N 2 0 339.483 2.256 10 30 EEEERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001485167104 1191677147 /nfs/dbraw/zinc/67/71/47/1191677147.db2.gz UHFYCJISPUDBDR-HZPDHXFCSA-N 2 0 340.471 2.169 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001485229756 1191698764 /nfs/dbraw/zinc/69/87/64/1191698764.db2.gz LHFIPXHSGDPCQS-HUUCEWRRSA-N 2 0 333.501 2.076 10 30 EEEERP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccccc1 ZINC001486189497 1193731214 /nfs/dbraw/zinc/73/12/14/1193731214.db2.gz VYJDSRLUEXCBJU-WOJBJXKFSA-N 2 0 341.499 2.221 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001486252693 1193779740 /nfs/dbraw/zinc/77/97/40/1193779740.db2.gz HKJUTGPHVKIWAO-ZIAGYGMSSA-N 2 0 347.425 2.273 10 30 EEEERP C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001273276682 1197945302 /nfs/dbraw/zinc/94/53/02/1197945302.db2.gz KXECPXHTGOQWFL-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000876754566 1199757518 /nfs/dbraw/zinc/75/75/18/1199757518.db2.gz SRBIKEUMBZZPRD-INIZCTEOSA-N 2 0 339.867 2.103 10 30 EEEERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001491296826 1258913117 /nfs/dbraw/zinc/91/31/17/1258913117.db2.gz GJAAAZICZOLMGN-APWZRJJASA-N 2 0 342.487 2.227 10 30 EEEERP O=C(C#CC1CC[NH2+]CC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000852854879 1292216293 /nfs/dbraw/zinc/21/62/93/1292216293.db2.gz SMGARGORNCRYHP-MRXNPFEDSA-N 2 0 331.485 2.004 10 30 EEEERP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001276388528 1297158930 /nfs/dbraw/zinc/15/89/30/1297158930.db2.gz ISANWCWYPUNTQU-APWZRJJASA-N 2 0 349.519 2.033 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1CC ZINC001276760542 1297509097 /nfs/dbraw/zinc/50/90/97/1297509097.db2.gz INHPLHXZJCCAAO-AZUAARDMSA-N 2 0 345.531 2.348 10 30 EEEERP C#CCC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CCCCCC1 ZINC001277382623 1302757111 /nfs/dbraw/zinc/75/71/11/1302757111.db2.gz OLGOAXZMAGXWHW-UHFFFAOYSA-N 2 0 331.504 2.247 10 30 EEEERP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCCC)CC1 ZINC001278194043 1306241058 /nfs/dbraw/zinc/24/10/58/1306241058.db2.gz FYYHUZJZCXNAGZ-SFHVURJKSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCCC=C)CC1 ZINC001278327541 1309464156 /nfs/dbraw/zinc/46/41/56/1309464156.db2.gz KNJXUJVPGINJOJ-UXHICEINSA-N 2 0 343.515 2.363 10 30 EEEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001278503350 1310877276 /nfs/dbraw/zinc/87/72/76/1310877276.db2.gz BJOVCHPPFRBCRU-ICSRJNTNSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001264038344 1322595393 /nfs/dbraw/zinc/59/53/93/1322595393.db2.gz HHGJXCLOUVRAAZ-WOJBJXKFSA-N 2 0 341.499 2.326 10 30 EEEERP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264446752 1322704063 /nfs/dbraw/zinc/70/40/63/1322704063.db2.gz JWJCDCZOUDKYTH-OTWHNJEPSA-N 2 0 329.488 2.487 10 30 EEEERP CC(C)[C@H](C(=O)NC[C@H]([NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001265378279 1323107700 /nfs/dbraw/zinc/10/77/00/1323107700.db2.gz JCFKZFRCMKYJHP-VQTJNVASSA-N 2 0 341.499 2.109 10 30 EEEERP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001265688646 1323322506 /nfs/dbraw/zinc/32/25/06/1323322506.db2.gz YXNMQCHOXUMLLG-PMACEKPBSA-N 2 0 341.499 2.349 10 30 EEEERP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001279631141 1323965981 /nfs/dbraw/zinc/96/59/81/1323965981.db2.gz RKHDIJBDCPOEPS-RBUKOAKNSA-N 2 0 331.504 2.199 10 30 EEEERP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001284221677 1326465254 /nfs/dbraw/zinc/46/52/54/1326465254.db2.gz WZRHWNYGDCUVSD-PKOBYXMFSA-N 2 0 329.488 2.465 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C(F)(F)F ZINC001284364641 1326521722 /nfs/dbraw/zinc/52/17/22/1326521722.db2.gz RMNCEQFYKDKCTE-KBPBESRZSA-N 2 0 347.425 2.273 10 30 EEEERP CN(C(=O)C1([NH+](C)C)CCC1)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001284771454 1326705847 /nfs/dbraw/zinc/70/58/47/1326705847.db2.gz RNLKOTNPUHDWLP-UHFFFAOYSA-N 2 0 339.483 2.101 10 30 EEEERP C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001317188184 1332122165 /nfs/dbraw/zinc/12/21/65/1332122165.db2.gz IRPDFHVODLWCBQ-SFHVURJKSA-N 2 0 349.519 2.036 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317598171 1332318310 /nfs/dbraw/zinc/31/83/10/1332318310.db2.gz OMQUWXFYKPYOKB-IBGZPJMESA-N 2 0 345.462 2.100 10 30 EEEERP CC(C)C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001319606815 1332728396 /nfs/dbraw/zinc/72/83/96/1332728396.db2.gz ZJOFPMVNHDYYIW-PMACEKPBSA-N 2 0 341.499 2.253 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001325437864 1333886105 /nfs/dbraw/zinc/88/61/05/1333886105.db2.gz MEATZXAYTGRDOK-UYAOXDASSA-N 2 0 341.499 2.207 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001325541677 1333907326 /nfs/dbraw/zinc/90/73/26/1333907326.db2.gz DGBVWCLOOVNXMW-ZWKOTPCHSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001330444399 1334845014 /nfs/dbraw/zinc/84/50/14/1334845014.db2.gz FGVZZPVLGHTLQP-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001332898304 1335926865 /nfs/dbraw/zinc/92/68/65/1335926865.db2.gz IJMXGBJNYZGQLD-IRXDYDNUSA-N 2 0 339.524 2.041 10 30 EEEERP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001479690454 1337362213 /nfs/dbraw/zinc/36/22/13/1337362213.db2.gz PIUHVPSMADPAAJ-HNNXBMFYSA-N 2 0 327.900 2.442 10 30 EEEERP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC001564847999 1342550893 /nfs/dbraw/zinc/55/08/93/1342550893.db2.gz XZBWCFXQQMZBHY-GOSISDBHSA-N 2 0 334.508 2.038 10 30 EEEERP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001570275608 1343048999 /nfs/dbraw/zinc/04/89/99/1343048999.db2.gz YXJCIFFUNPRTED-AZUAARDMSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001571021769 1343153384 /nfs/dbraw/zinc/15/33/84/1343153384.db2.gz JQCLXUDBEJAOOS-IPMKNSEASA-N 2 0 331.504 2.102 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001571307480 1343177061 /nfs/dbraw/zinc/17/70/61/1343177061.db2.gz DBCUOWWCRBXSBL-HUUCEWRRSA-N 2 0 348.516 2.336 10 30 EEEERP C=CCOCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001571332037 1343185810 /nfs/dbraw/zinc/18/58/10/1343185810.db2.gz QDZAUWZGVCQNDV-OALUTQOASA-N 2 0 349.519 2.129 10 30 EEEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001676238669 1357124913 /nfs/dbraw/zinc/12/49/13/1357124913.db2.gz IWCHYAMAWJUTQX-IBGZPJMESA-N 2 0 333.520 2.491 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C[C@@H]1C ZINC001671252647 1354026706 /nfs/dbraw/zinc/02/67/06/1354026706.db2.gz ZYQFOWPVEGXDPC-ICSRJNTNSA-N 2 0 341.499 2.349 10 30 EEEERP C=CC[NH2+]CCc1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001662809454 1354851659 /nfs/dbraw/zinc/85/16/59/1354851659.db2.gz NNPIGSKAAWOTIB-UHFFFAOYSA-N 2 0 327.472 2.249 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001665686333 1355358973 /nfs/dbraw/zinc/35/89/73/1355358973.db2.gz HZWIYKAUZPWBTF-HKUYNNGSSA-N 2 0 331.504 2.219 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001669930540 1356242595 /nfs/dbraw/zinc/24/25/95/1356242595.db2.gz OJLLFVBKZLFVEP-ZWKOTPCHSA-N 2 0 335.536 2.450 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1CC ZINC001672181545 1356474707 /nfs/dbraw/zinc/47/47/07/1356474707.db2.gz APWIMVRAZQHSRT-IBGZPJMESA-N 2 0 327.472 2.115 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001672796891 1356585979 /nfs/dbraw/zinc/58/59/79/1356585979.db2.gz YCQSXQZVBJYAPC-RBUKOAKNSA-N 2 0 345.531 2.493 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001675948014 1357075176 /nfs/dbraw/zinc/07/51/76/1357075176.db2.gz NVDCPXVKONUEJL-KBXCAEBGSA-N 2 0 346.450 2.166 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC001698795207 1405072984 /nfs/dbraw/zinc/07/29/84/1405072984.db2.gz ASFCVSYAAFLWSH-IBGZPJMESA-N 2 0 339.483 2.151 10 30 EEEERP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001698945411 1405175089 /nfs/dbraw/zinc/17/50/89/1405175089.db2.gz KMOOWPHUBUMJDT-HNAYVOBHSA-N 2 0 338.455 2.496 10 30 EEEERP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(C)CC1 ZINC001699983367 1405625524 /nfs/dbraw/zinc/62/55/24/1405625524.db2.gz CWTZHZMWVQMQFH-UHFFFAOYSA-N 2 0 341.499 2.360 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000913803474 794297591 /nfs/dbraw/zinc/29/75/91/794297591.db2.gz XNWQACQUNOEZQK-PZJWPPBQSA-N 2 0 341.499 2.475 10 30 EEEERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(C#N)s1 ZINC001437395554 1089651014 /nfs/dbraw/zinc/65/10/14/1089651014.db2.gz DRYHHNBUFQOHTH-ILXRZTDVSA-N 2 0 348.516 2.334 10 30 EEEERP C[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)Cc1ccc(C#N)cc1 ZINC001437480058 1089826205 /nfs/dbraw/zinc/82/62/05/1089826205.db2.gz BIXAKUMMPUNZQS-RTBURBONSA-N 2 0 340.471 2.123 10 30 EEEERP C=C(Br)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001438777311 1091367745 /nfs/dbraw/zinc/36/77/45/1091367745.db2.gz UNJKHCXUJYHVJZ-TZMCWYRMSA-N 2 0 346.313 2.063 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001440654825 1093928127 /nfs/dbraw/zinc/92/81/27/1093928127.db2.gz XZOXMBNGQRHIQX-LPHOPBHVSA-N 2 0 342.487 2.368 10 30 EEEERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001441434777 1095039744 /nfs/dbraw/zinc/03/97/44/1095039744.db2.gz NAMLXGXINYKOHQ-DLBZAZTESA-N 2 0 346.500 2.041 10 30 EEEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC001441930730 1096118621 /nfs/dbraw/zinc/11/86/21/1096118621.db2.gz XHXDAPNSXXZLNA-ZWKOTPCHSA-N 2 0 349.906 2.398 10 30 EEEERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)c(F)c1 ZINC001479790150 1098993366 /nfs/dbraw/zinc/99/33/66/1098993366.db2.gz UPTZDMDILVHVSL-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP O=C(C[NH+]1CCCC1)NCCC[N@H+](CC#Cc1ccccc1)C1CC1 ZINC001479879792 1099246560 /nfs/dbraw/zinc/24/65/60/1099246560.db2.gz IXDAKMLMNDQBEC-UHFFFAOYSA-N 2 0 339.483 2.105 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CCCC=C)C2)CC1 ZINC001480305521 1100024296 /nfs/dbraw/zinc/02/42/96/1100024296.db2.gz DGQUQSCRXZAPKG-GOSISDBHSA-N 2 0 331.504 2.126 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCc1ccccc1)C(C)C ZINC001496570212 1101171210 /nfs/dbraw/zinc/17/12/10/1101171210.db2.gz OAGQKEFZLTUPAP-UXHICEINSA-N 2 0 341.499 2.057 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001496627105 1101230875 /nfs/dbraw/zinc/23/08/75/1101230875.db2.gz ISVMOUVSPSDBOS-RBUKOAKNSA-N 2 0 342.487 2.130 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001497501555 1102590797 /nfs/dbraw/zinc/59/07/97/1102590797.db2.gz XQSNILZTYMNGIY-GASCZTMLSA-N 2 0 348.516 2.431 10 30 EEEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001494205597 1103693667 /nfs/dbraw/zinc/69/36/67/1103693667.db2.gz OSIXCLKFFXUAPH-IBGZPJMESA-N 2 0 333.520 2.443 10 30 EEEERP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001479426565 1110695305 /nfs/dbraw/zinc/69/53/05/1110695305.db2.gz RIAQNMIGWBGBIS-RBUKOAKNSA-N 2 0 329.488 2.489 10 30 EEEERP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001499570768 1112375458 /nfs/dbraw/zinc/37/54/58/1112375458.db2.gz UYQVZXXLPWJECR-HKUYNNGSSA-N 2 0 337.483 2.004 10 30 EEEERP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001500039121 1112588631 /nfs/dbraw/zinc/58/86/31/1112588631.db2.gz IXJWKGSTOMGMGI-INIZCTEOSA-N 2 0 337.483 2.145 10 30 EEEERP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001500048833 1112592707 /nfs/dbraw/zinc/59/27/07/1112592707.db2.gz WDPVZKQFEBTLOX-MRXNPFEDSA-N 2 0 337.483 2.003 10 30 EEEERP CC[C@H](C(=O)N(C)CCC[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001502346707 1113638064 /nfs/dbraw/zinc/63/80/64/1113638064.db2.gz XSYAHTOYOFRJRD-LJQANCHMSA-N 2 0 329.488 2.159 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001502406769 1113671713 /nfs/dbraw/zinc/67/17/13/1113671713.db2.gz SDYRJVAGMCFMMW-MOPGFXCFSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001503691672 1113900277 /nfs/dbraw/zinc/90/02/77/1113900277.db2.gz OVPKMVKBKYERNX-LJQANCHMSA-N 2 0 327.472 2.067 10 30 EEEERP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001506744319 1114856334 /nfs/dbraw/zinc/85/63/34/1114856334.db2.gz LSDZBSUDZFOKJQ-GOSISDBHSA-N 2 0 333.520 2.491 10 30 EEEERP CC(C)C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+](C)C(C)C ZINC001568338648 1124425646 /nfs/dbraw/zinc/42/56/46/1124425646.db2.gz CWTQGQUOPJJNHE-FQEVSTJZSA-N 2 0 343.515 2.499 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)CCC[NH+]1CCCCC1 ZINC001569036851 1125057007 /nfs/dbraw/zinc/05/70/07/1125057007.db2.gz ROVFQFFQKBWMRC-LJQANCHMSA-N 2 0 341.499 2.399 10 30 EEEERP CCC[NH+]1CCC(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000567160358 319353395 /nfs/dbraw/zinc/35/33/95/319353395.db2.gz CVWBTXPZFTYJJY-UHFFFAOYSA-N 2 0 349.500 2.044 10 30 EEEERP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)NCC[NH+](C)C ZINC000347252614 466511953 /nfs/dbraw/zinc/51/19/53/466511953.db2.gz QUQDWUYXTLEMKO-QAPCUYQASA-N 2 0 330.476 2.301 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)C(C)C ZINC000417070003 466769938 /nfs/dbraw/zinc/76/99/38/466769938.db2.gz UZNSLGDADPXDEG-KZNAEPCWSA-N 2 0 334.508 2.078 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000373493511 466822434 /nfs/dbraw/zinc/82/24/34/466822434.db2.gz IKUNHJZXOWUHCM-UHFFFAOYSA-N 2 0 334.508 2.343 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000594446124 468591509 /nfs/dbraw/zinc/59/15/09/468591509.db2.gz PNSXKGDOTXTEHC-HUUCEWRRSA-N 2 0 334.489 2.412 10 30 EEEERP C#CCN(C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914314350 683481173 /nfs/dbraw/zinc/48/11/73/683481173.db2.gz RZFKDXHTHCANNP-PXNSSMCTSA-N 2 0 348.535 2.236 10 30 EEEERP C[NH+]=C(NCc1nccn1CC(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262426075 686001192 /nfs/dbraw/zinc/00/11/92/686001192.db2.gz RQNFNDDHJXCUQH-ALOPSCKCSA-N 2 0 346.523 2.219 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266567657 1176859521 /nfs/dbraw/zinc/85/95/21/1176859521.db2.gz MYIWAJOXFBEDGZ-VQTJNVASSA-N 2 0 339.483 2.103 10 30 EEEERP O=C(C[NH+]1CCCC1)NC1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001266915923 1177794024 /nfs/dbraw/zinc/79/40/24/1177794024.db2.gz FOIHMNBTSRVAGE-UHFFFAOYSA-N 2 0 339.483 2.151 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH2+]CC2CC2)CC1 ZINC001691309444 1177880836 /nfs/dbraw/zinc/88/08/36/1177880836.db2.gz QJPROZOMYCEDGU-YLJYHZDGSA-N 2 0 345.531 2.348 10 30 EEEERP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C[NH+](C)C(C)C ZINC001267320366 1178751610 /nfs/dbraw/zinc/75/16/10/1178751610.db2.gz HOZHYYCNAVGTLG-UHFFFAOYSA-N 2 0 329.488 2.207 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001267473712 1179105972 /nfs/dbraw/zinc/10/59/72/1179105972.db2.gz NOBOFSWOASRBIK-UHFFFAOYSA-N 2 0 345.462 2.049 10 30 EEEERP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001267925783 1180773307 /nfs/dbraw/zinc/77/33/07/1180773307.db2.gz NECJWCPIBYCIKC-CADBVGFASA-N 2 0 349.519 2.223 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001481365954 1181134024 /nfs/dbraw/zinc/13/40/24/1181134024.db2.gz UUDJXDHONXATTE-RTBURBONSA-N 2 0 327.472 2.331 10 30 EEEERP C#CC[NH2+][C@H](CNC(=O)c1ccccc1CC[NH+](C)C)c1ccccc1 ZINC001481368584 1181139502 /nfs/dbraw/zinc/13/95/02/1181139502.db2.gz LQDPLXQMKVSQFS-OAQYLSRUSA-N 2 0 349.478 2.485 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CCC(C)C)C2)CC1 ZINC001481507567 1181593039 /nfs/dbraw/zinc/59/30/39/1181593039.db2.gz BPGWHXQYNSNGTM-SFHVURJKSA-N 2 0 333.520 2.158 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001268549593 1183232252 /nfs/dbraw/zinc/23/22/52/1183232252.db2.gz QSBFCKHUDSQNLP-IDOMTICXSA-N 2 0 346.500 2.256 10 30 EEEERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001482058396 1183263991 /nfs/dbraw/zinc/26/39/91/1183263991.db2.gz BTVBTORPGONJBR-UXHICEINSA-N 2 0 339.483 2.103 10 30 EEEERP CCC[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001482161083 1183484356 /nfs/dbraw/zinc/48/43/56/1183484356.db2.gz BVMFZTMXJKDGLY-MRXNPFEDSA-N 2 0 349.906 2.375 10 30 EEEERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001268821454 1183740748 /nfs/dbraw/zinc/74/07/48/1183740748.db2.gz CZUICRUXCXJURJ-GJZGRUSLSA-N 2 0 348.516 2.288 10 30 EEEERP C=CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001268842811 1183760707 /nfs/dbraw/zinc/76/07/07/1183760707.db2.gz AOFCYZYAWAOVJM-QGZVFWFLSA-N 2 0 330.476 2.240 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001269593228 1184417524 /nfs/dbraw/zinc/41/75/24/1184417524.db2.gz QEPHQGBKDGMKJP-MSOLQXFVSA-N 2 0 349.519 2.129 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001270065421 1184823722 /nfs/dbraw/zinc/82/37/22/1184823722.db2.gz NDNPGZYHBYQASV-UHFFFAOYSA-N 2 0 339.483 2.292 10 30 EEEERP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001691564408 1188265894 /nfs/dbraw/zinc/26/58/94/1188265894.db2.gz RDUAJCFGBTUBHF-MSOLQXFVSA-N 2 0 333.520 2.465 10 30 EEEERP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001272828885 1193566778 /nfs/dbraw/zinc/56/67/78/1193566778.db2.gz FFVVHQBVNOYXIM-CQSZACIVSA-N 2 0 346.450 2.166 10 30 EEEERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001485855710 1193617741 /nfs/dbraw/zinc/61/77/41/1193617741.db2.gz MOFOKBOPTAYQLR-MAUKXSAKSA-N 2 0 347.890 2.222 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1ccccc1C#N ZINC001409568318 1190048111 /nfs/dbraw/zinc/04/81/11/1190048111.db2.gz JRSWIRORQFQWMQ-LPHOPBHVSA-N 2 0 342.487 2.369 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCCc2ccccc2)CC1 ZINC001483297180 1190320071 /nfs/dbraw/zinc/32/00/71/1190320071.db2.gz ZPRFWFTVVZNBJH-SFHVURJKSA-N 2 0 341.499 2.059 10 30 EEEERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001484546880 1191408291 /nfs/dbraw/zinc/40/82/91/1191408291.db2.gz KUKISZBDRWEVOJ-VQIMIIECSA-N 2 0 342.487 2.227 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001484683422 1191469960 /nfs/dbraw/zinc/46/99/60/1191469960.db2.gz FIZVJCPEYOOVSV-GOSISDBHSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CC=C(C)C)CC1 ZINC001485041624 1191622894 /nfs/dbraw/zinc/62/28/94/1191622894.db2.gz ZWWYYWKVLRQRRV-IBGZPJMESA-N 2 0 331.504 2.269 10 30 EEEERP C=CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001485442809 1191786715 /nfs/dbraw/zinc/78/67/15/1191786715.db2.gz BJSXDVUCJOZGTP-IEBWSBKVSA-N 2 0 349.519 2.177 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001486212667 1193753141 /nfs/dbraw/zinc/75/31/41/1193753141.db2.gz MUARGHCNWPTWBZ-UYAOXDASSA-N 2 0 341.499 2.302 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC001486246886 1193773138 /nfs/dbraw/zinc/77/31/38/1193773138.db2.gz ULZHRCNNDUIVRV-INIZCTEOSA-N 2 0 348.516 2.288 10 30 EEEERP CC#CC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC001486234747 1193787218 /nfs/dbraw/zinc/78/72/18/1193787218.db2.gz WULRLMULIPRRJS-OAHLLOKOSA-N 2 0 333.501 2.273 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001410232509 1197622125 /nfs/dbraw/zinc/62/21/25/1197622125.db2.gz ZSJQGAAGLNIXQG-VGWMRTNUSA-N 2 0 327.900 2.344 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001410310129 1197672893 /nfs/dbraw/zinc/67/28/93/1197672893.db2.gz 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CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001278964885 1318857364 /nfs/dbraw/zinc/85/73/64/1318857364.db2.gz ZOPMHTFSTDDXGI-IBGZPJMESA-N 2 0 333.520 2.302 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001279012614 1318992488 /nfs/dbraw/zinc/99/24/88/1318992488.db2.gz PAXFUUVJLZMXSL-MJGOQNOKSA-N 2 0 341.499 2.254 10 30 EEEERP CC[C@H](C(=O)NCCC[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001265000920 1322847765 /nfs/dbraw/zinc/84/77/65/1322847765.db2.gz IKPVHNXNBGHPDH-GOSISDBHSA-N 2 0 349.906 2.470 10 30 EEEERP C#CCC[NH2+]C1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001265737143 1323356810 /nfs/dbraw/zinc/35/68/10/1323356810.db2.gz ASGPRXJAKISGEX-UHFFFAOYSA-N 2 0 341.499 2.445 10 30 EEEERP C=CCC[C@@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+]1CCCCC1)CO2 ZINC001280979968 1324692103 /nfs/dbraw/zinc/69/21/03/1324692103.db2.gz RKFXDSKUORYSSX-QZTJIDSGSA-N 2 0 349.519 2.177 10 30 EEEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001282559672 1325741429 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WDPIGOVFSFRLTL-CSODTCANSA-N 2 0 348.450 2.144 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC001316726565 1331842055 /nfs/dbraw/zinc/84/20/55/1331842055.db2.gz GQUQJDFMZKSSHB-KBPBESRZSA-N 2 0 347.425 2.273 10 30 EEEERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001317091240 1332075457 /nfs/dbraw/zinc/07/54/57/1332075457.db2.gz NAAGFSKTQWSCEZ-WGSAOQKQSA-N 2 0 327.472 2.007 10 30 EEEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001317303172 1332171065 /nfs/dbraw/zinc/17/10/65/1332171065.db2.gz QRVLUYCXWDQKQE-HOTGVXAUSA-N 2 0 339.443 2.426 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001319697165 1332744959 /nfs/dbraw/zinc/74/49/59/1332744959.db2.gz RWXDQTPPWOICRZ-XLIONFOSSA-N 2 0 341.499 2.254 10 30 EEEERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC001323164654 1333401384 /nfs/dbraw/zinc/40/13/84/1333401384.db2.gz XHIAXKXUYLDUQO-PMACEKPBSA-N 2 0 341.499 2.207 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001323443308 1333465232 /nfs/dbraw/zinc/46/52/32/1333465232.db2.gz QQVTUXRFVHYMPU-IBGZPJMESA-N 2 0 339.483 2.149 10 30 EEEERP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001323733388 1333526808 /nfs/dbraw/zinc/52/68/08/1333526808.db2.gz HSVMIDHJNYFDJV-FQEVSTJZSA-N 2 0 343.515 2.055 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001324879936 1333779393 /nfs/dbraw/zinc/77/93/93/1333779393.db2.gz HFRNQFKZGLXHBT-GOSISDBHSA-N 2 0 333.520 2.350 10 30 EEEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc(CN(C)C)on2)C1 ZINC001325416203 1333882344 /nfs/dbraw/zinc/88/23/44/1333882344.db2.gz KWDRXYMFVMNOOV-GJZGRUSLSA-N 2 0 334.464 2.143 10 30 EEEERP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001325707869 1333944825 /nfs/dbraw/zinc/94/48/25/1333944825.db2.gz FKRREJNDQHMPCM-QGZVFWFLSA-N 2 0 335.879 2.309 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001326225214 1334048176 /nfs/dbraw/zinc/04/81/76/1334048176.db2.gz SQSGAHXFUGVQMI-WMLDXEAASA-N 2 0 346.500 2.042 10 30 EEEERP CC(C)[C@@H](C(=O)NCC1([NH2+]CC#Cc2ccccc2)CCC1)[NH+](C)C ZINC001326833855 1334166521 /nfs/dbraw/zinc/16/65/21/1334166521.db2.gz ABJRRUBKXVMWPG-IBGZPJMESA-N 2 0 341.499 2.253 10 30 EEEERP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001328509191 1334470459 /nfs/dbraw/zinc/47/04/59/1334470459.db2.gz FYIGYHCCRIXUCG-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)CC1 ZINC001339443984 1337006058 /nfs/dbraw/zinc/00/60/58/1337006058.db2.gz POJAVAVJVYQUIN-UHFFFAOYSA-N 2 0 333.520 2.158 10 30 EEEERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001665829200 1355396779 /nfs/dbraw/zinc/39/67/79/1355396779.db2.gz URIVEUMFOKVQSS-QZTJIDSGSA-N 2 0 347.890 2.270 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001672853858 1356599763 /nfs/dbraw/zinc/59/97/63/1356599763.db2.gz TZQITBWCJSPSCA-CQSZACIVSA-N 2 0 346.313 2.065 10 30 EEEERP C#CCN1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001560588123 1342514121 /nfs/dbraw/zinc/51/41/21/1342514121.db2.gz NAWKPZPZVSZPDS-FQEVSTJZSA-N 2 0 341.499 2.348 10 30 EEEERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567028322 1342683458 /nfs/dbraw/zinc/68/34/58/1342683458.db2.gz KICVFZBZNGDUNZ-MAUKXSAKSA-N 2 0 347.890 2.270 10 30 EEEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001567198450 1342710141 /nfs/dbraw/zinc/71/01/41/1342710141.db2.gz IKNKRFYXBQIUOP-VQIMIIECSA-N 2 0 337.483 2.145 10 30 EEEERP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001567583579 1342788191 /nfs/dbraw/zinc/78/81/91/1342788191.db2.gz DHBLMWRYJVLNIT-UHFFFAOYSA-N 2 0 342.487 2.227 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001569562611 1342897529 /nfs/dbraw/zinc/89/75/29/1342897529.db2.gz UDMRWZSNTQXZQH-IBGZPJMESA-N 2 0 345.462 2.100 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CCCC1 ZINC001569610718 1342908047 /nfs/dbraw/zinc/90/80/47/1342908047.db2.gz WOWIYNZMTKFUDI-OALUTQOASA-N 2 0 333.520 2.396 10 30 EEEERP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@]2(C)C1 ZINC001571060523 1343157606 /nfs/dbraw/zinc/15/76/06/1343157606.db2.gz YJVKYQKQBZLFMQ-QRQLOZEOSA-N 2 0 339.499 2.413 10 30 EEEERP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001677404073 1357328387 /nfs/dbraw/zinc/32/83/87/1357328387.db2.gz ZUUYIAJZJQDCOC-NKELODKYSA-N 2 0 349.519 2.175 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001671251902 1354002721 /nfs/dbraw/zinc/00/27/21/1354002721.db2.gz PODXMWGVGMTOHY-APWZRJJASA-N 2 0 331.504 2.101 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C[C@@H]1C ZINC001671252646 1354026441 /nfs/dbraw/zinc/02/64/41/1354026441.db2.gz ZYQFOWPVEGXDPC-AZUAARDMSA-N 2 0 341.499 2.349 10 30 EEEERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001661686863 1354672707 /nfs/dbraw/zinc/67/27/07/1354672707.db2.gz XUKFKVNAIIONHB-HDICACEKSA-N 2 0 345.874 2.024 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001661823142 1354703339 /nfs/dbraw/zinc/70/33/39/1354703339.db2.gz LOCVIJDGTZYDEA-SFHVURJKSA-N 2 0 327.472 2.213 10 30 EEEERP CC#CC[NH2+]C[C@@](C)(NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001666025956 1355427789 /nfs/dbraw/zinc/42/77/89/1355427789.db2.gz CVKUJCVAMAHMCG-HXUWFJFHSA-N 2 0 327.472 2.260 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001667176709 1355664729 /nfs/dbraw/zinc/66/47/29/1355664729.db2.gz PXHLAIOOEQUARK-GOEBONIOSA-N 2 0 333.501 2.273 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001667332651 1355712541 /nfs/dbraw/zinc/71/25/41/1355712541.db2.gz OSCXUYQLHUZZGT-PKOBYXMFSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](Cc2csc(C)c2)CC1 ZINC001671491964 1356348967 /nfs/dbraw/zinc/34/89/67/1356348967.db2.gz MPXRJQAURAFOJN-UHFFFAOYSA-N 2 0 347.528 2.434 10 30 EEEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001672929696 1356617495 /nfs/dbraw/zinc/61/74/95/1356617495.db2.gz PUKNBEMJUIXPIB-UXHICEINSA-N 2 0 339.483 2.385 10 30 EEEERP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](C/C=C\Cl)CC1 ZINC001699785456 1405483118 /nfs/dbraw/zinc/48/31/18/1405483118.db2.gz PFNPNUGMCCDFAW-POHAHGRESA-N 2 0 325.884 2.007 10 30 EEEERP C#CCC[NH+](CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001566596321 1125787654 /nfs/dbraw/zinc/78/76/54/1125787654.db2.gz CSVDWBFNNKKVOO-LJQANCHMSA-N 2 0 337.483 2.193 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001439895445 1092955029 /nfs/dbraw/zinc/95/50/29/1092955029.db2.gz XZABGRKUSXVJEI-QGZVFWFLSA-N 2 0 339.911 2.443 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001439895348 1092955699 /nfs/dbraw/zinc/95/56/99/1092955699.db2.gz XFUCGQYEUYVUIL-NVXWUHKLSA-N 2 0 327.900 2.442 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001440475236 1093703692 /nfs/dbraw/zinc/70/36/92/1093703692.db2.gz SHQNISXRQNCEAI-HNNXBMFYSA-N 2 0 348.516 2.432 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480144052 1099712149 /nfs/dbraw/zinc/71/21/49/1099712149.db2.gz VIMJOSRQBHHKTM-KKUMJFAQSA-N 2 0 346.500 2.231 10 30 EEEERP CC(C)C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001496297255 1100883372 /nfs/dbraw/zinc/88/33/72/1100883372.db2.gz UATFXEHACXJFGL-OALUTQOASA-N 2 0 342.487 2.130 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001494178978 1103654574 /nfs/dbraw/zinc/65/45/74/1103654574.db2.gz OMYCLQGJUZQXNX-LJQANCHMSA-N 2 0 342.487 2.179 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480708529 1106927566 /nfs/dbraw/zinc/92/75/66/1106927566.db2.gz GXVOIUOMNUEYTJ-GJZGRUSLSA-N 2 0 348.516 2.477 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1CC ZINC001498889429 1108283281 /nfs/dbraw/zinc/28/32/81/1108283281.db2.gz LJBJPZIMZXQODB-APWZRJJASA-N 2 0 338.455 2.496 10 30 EEEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001479467650 1110698564 /nfs/dbraw/zinc/69/85/64/1110698564.db2.gz QBAMPRPPFNUNMF-PKOBYXMFSA-N 2 0 341.499 2.302 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001499477302 1112307392 /nfs/dbraw/zinc/30/73/92/1112307392.db2.gz BKAYDDMOFKOHAH-HXUWFJFHSA-N 2 0 345.531 2.446 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001500162049 1112648655 /nfs/dbraw/zinc/64/86/55/1112648655.db2.gz OJUVNJWBJMKJDU-QGZVFWFLSA-N 2 0 327.900 2.395 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501153950 1113217553 /nfs/dbraw/zinc/21/75/53/1113217553.db2.gz YQTCIRUCWPGYDK-APWZRJJASA-N 2 0 342.487 2.083 10 30 EEEERP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001501156199 1113218345 /nfs/dbraw/zinc/21/83/45/1113218345.db2.gz NBEBDFSEJFMCRN-HOTGVXAUSA-N 2 0 331.460 2.052 10 30 EEEERP C#CCC[N@H+]1CCc2c(CNC(=O)CCC[NH+](C)C)cccc2C1 ZINC001501854519 1113497749 /nfs/dbraw/zinc/49/77/49/1113497749.db2.gz VILOFDULYVMIFP-UHFFFAOYSA-N 2 0 327.472 2.026 10 30 EEEERP CC#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001502404831 1113670165 /nfs/dbraw/zinc/67/01/65/1113670165.db2.gz NXHREIUFQVNNHR-OALUTQOASA-N 2 0 333.520 2.302 10 30 EEEERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]Cc3ccc(C#N)cc3)C2)CCC1 ZINC001505502205 1114026233 /nfs/dbraw/zinc/02/62/33/1114026233.db2.gz ZZAJOLUIZLBBPU-UHFFFAOYSA-N 2 0 340.471 2.027 10 30 EEEERP CCCC[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001506553546 1114694584 /nfs/dbraw/zinc/69/45/84/1114694584.db2.gz SLCUTGOXTUBHOI-FQEVSTJZSA-N 2 0 341.499 2.399 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001507070677 1115092605 /nfs/dbraw/zinc/09/26/05/1115092605.db2.gz GXQRGNZJCPBJEE-UONOGXRCSA-N 2 0 346.313 2.204 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCCCC)CC1 ZINC001567866570 1124149220 /nfs/dbraw/zinc/14/92/20/1124149220.db2.gz QOHSGNLGRSQTQZ-OALUTQOASA-N 2 0 331.504 2.197 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001568220033 1124363574 /nfs/dbraw/zinc/36/35/74/1124363574.db2.gz IHEVUZLGSGTWDB-RTBURBONSA-N 2 0 349.519 2.177 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCCC=C)CCCC2)CC1 ZINC001568246218 1124383472 /nfs/dbraw/zinc/38/34/72/1124383472.db2.gz BBBWSQUHNQYYKX-UHFFFAOYSA-N 2 0 331.504 2.316 10 30 EEEERP CC[C@H](C(=O)NC[C@H]([NH2+]CC#Cc1ccccc1)C(C)C)[NH+](C)C ZINC001568454606 1124519595 /nfs/dbraw/zinc/51/95/95/1124519595.db2.gz MTEUNFALEWUQFZ-RBUKOAKNSA-N 2 0 329.488 2.109 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cccc(C#N)c1 ZINC001568747547 1124760192 /nfs/dbraw/zinc/76/01/92/1124760192.db2.gz LNBHPTXACBLTIA-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001565871179 1125445925 /nfs/dbraw/zinc/44/59/25/1125445925.db2.gz ABPWTAKCTFNVPQ-LNLFQRSKSA-N 2 0 331.504 2.291 10 30 EEEERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000530230944 267278798 /nfs/dbraw/zinc/27/87/98/267278798.db2.gz DYWQKLUKAPJFFA-VJFUWPCTSA-N 2 0 331.460 2.008 10 30 EEEERP CN1CC[NH+]([C@H]2CCCCN(Cc3ccc(F)cc3C#N)C2)CC1 ZINC000158995978 463263229 /nfs/dbraw/zinc/26/32/29/463263229.db2.gz MGRIEGFIOMIZFO-IBGZPJMESA-N 2 0 330.451 2.299 10 30 EEEERP CN1CC[NH+]([C@@H]2CCCCN(Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000182892001 464750849 /nfs/dbraw/zinc/75/08/49/464750849.db2.gz AECUOBHLEFZEJN-GOSISDBHSA-N 2 0 330.451 2.299 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000352833598 465560233 /nfs/dbraw/zinc/56/02/33/465560233.db2.gz JGQMBEWKDGULQD-CYBMUJFWSA-N 2 0 340.393 2.303 10 30 EEEERP C=CCOc1ccccc1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415132772 467498324 /nfs/dbraw/zinc/49/83/24/467498324.db2.gz ULRMESHSWCUGLL-KRWDZBQOSA-N 2 0 327.432 2.139 10 30 EEEERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594436347 468585371 /nfs/dbraw/zinc/58/53/71/468585371.db2.gz DFMZMPSYQAEVCQ-RBUKOAKNSA-N 2 0 342.487 2.378 10 30 EEEERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437211 468586348 /nfs/dbraw/zinc/58/63/48/468586348.db2.gz JFRXRYCHTFTACX-KBAYOESNSA-N 2 0 328.460 2.349 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000594439387 468588076 /nfs/dbraw/zinc/58/80/76/468588076.db2.gz VHRNLWZLZSXSEK-QZTJIDSGSA-N 2 0 328.460 2.178 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000594445960 468591618 /nfs/dbraw/zinc/59/16/18/468591618.db2.gz OBRUYAYGOHUZON-QZTJIDSGSA-N 2 0 328.460 2.351 10 30 EEEERP Cc1ccc([C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)[NH+]2CCCC2)cc1 ZINC000066244110 681445536 /nfs/dbraw/zinc/44/55/36/681445536.db2.gz BMBXVVCDBUZIDU-ZWKOTPCHSA-N 2 0 330.476 2.215 10 30 EEEERP C=C(C)C[N@H+](CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001691217304 1177720724 /nfs/dbraw/zinc/72/07/24/1177720724.db2.gz CYXXVHRODLVZGW-UHFFFAOYSA-N 2 0 325.416 2.038 10 30 EEEERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001268094978 1181734941 /nfs/dbraw/zinc/73/49/41/1181734941.db2.gz QUQPNQCTZPPOHW-CRAIPNDOSA-N 2 0 349.906 2.468 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC001268161385 1181875404 /nfs/dbraw/zinc/87/54/04/1181875404.db2.gz DLBRHLLKOPDHJJ-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C#CC[N@H+](C)CCC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001268201588 1181999848 /nfs/dbraw/zinc/99/98/48/1181999848.db2.gz SQZPRHSANCCPJR-UHFFFAOYSA-N 2 0 345.531 2.302 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001482172033 1183498543 /nfs/dbraw/zinc/49/85/43/1183498543.db2.gz MOXXBGSVZQWISK-MRXNPFEDSA-N 2 0 345.462 2.013 10 30 EEEERP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001269552405 1184378316 /nfs/dbraw/zinc/37/83/16/1184378316.db2.gz CGARBXQATXIUBY-OALUTQOASA-N 2 0 333.520 2.465 10 30 EEEERP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001269592936 1184416878 /nfs/dbraw/zinc/41/68/78/1184416878.db2.gz IEXLZMCERAFLOX-IXDOHACOSA-N 2 0 325.472 2.308 10 30 EEEERP C[C@@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)CCC[NH+](C)C ZINC001269959971 1184748538 /nfs/dbraw/zinc/74/85/38/1184748538.db2.gz PHLLZZOVJCPCEV-UYAOXDASSA-N 2 0 341.499 2.349 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001280272712 1185313183 /nfs/dbraw/zinc/31/31/83/1185313183.db2.gz AOFRJYDDQFDBRN-OAHLLOKOSA-N 2 0 348.516 2.290 10 30 EEEERP C=C(Br)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001482537420 1186589141 /nfs/dbraw/zinc/58/91/41/1186589141.db2.gz CHLQGHOKDPOXIA-UONOGXRCSA-N 2 0 346.313 2.110 10 30 EEEERP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001272079163 1187419111 /nfs/dbraw/zinc/41/91/11/1187419111.db2.gz YXGHJJRODIKNTA-RBUKOAKNSA-N 2 0 345.531 2.445 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001484138023 1191229093 /nfs/dbraw/zinc/22/90/93/1191229093.db2.gz MWIOXRWAXSFPQC-UHFFFAOYSA-N 2 0 338.455 2.498 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001486185999 1193726358 /nfs/dbraw/zinc/72/63/58/1193726358.db2.gz FUKSREMYAIWBSE-QFBILLFUSA-N 2 0 342.487 2.368 10 30 EEEERP C[NH+](C)CC[C@@H](NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C(C)(C)C ZINC000867962359 1201716283 /nfs/dbraw/zinc/71/62/83/1201716283.db2.gz OZHZSDPYGSPRQY-MSOLQXFVSA-N 2 0 342.487 2.228 10 30 EEEERP C=CCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCCO1 ZINC000883170254 1202025346 /nfs/dbraw/zinc/02/53/46/1202025346.db2.gz PNJLRZQJOJVOGB-RBUKOAKNSA-N 2 0 344.503 2.437 10 30 EEEERP C=CCC[NH2+][C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001274229692 1204969146 /nfs/dbraw/zinc/96/91/46/1204969146.db2.gz PKAVMTXEZVDYSG-APWZRJJASA-N 2 0 329.488 2.417 10 30 EEEERP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001274960617 1205217608 /nfs/dbraw/zinc/21/76/08/1205217608.db2.gz RDUFPGWNSUTELX-RTBURBONSA-N 2 0 331.504 2.197 10 30 EEEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001275676175 1205478730 /nfs/dbraw/zinc/47/87/30/1205478730.db2.gz AFIIQWBUMJLRDI-SFHVURJKSA-N 2 0 333.520 2.491 10 30 EEEERP C=CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001491214394 1258779977 /nfs/dbraw/zinc/77/99/77/1258779977.db2.gz PUHIKTQOCKUMHJ-SFHVURJKSA-N 2 0 349.519 2.036 10 30 EEEERP CC[NH+](CC)Cc1ccc(CNC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852855108 1292216991 /nfs/dbraw/zinc/21/69/91/1292216991.db2.gz DYHJVUFHGXOUPU-UHFFFAOYSA-N 2 0 327.472 2.148 10 30 EEEERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852883919 1292224568 /nfs/dbraw/zinc/22/45/68/1292224568.db2.gz BBVXMXNVDDFKMC-GOSISDBHSA-N 2 0 339.483 2.112 10 30 EEEERP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001277981605 1305561747 /nfs/dbraw/zinc/56/17/47/1305561747.db2.gz NSKXWZRAWPEFAD-VQTJNVASSA-N 2 0 341.499 2.205 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)CC#Cc1ccccc1 ZINC001280883942 1305780639 /nfs/dbraw/zinc/78/06/39/1305780639.db2.gz SVEAOJIBTITYCP-UHFFFAOYSA-N 2 0 329.488 2.159 10 30 EEEERP C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CC2CCC2)CC1 ZINC001278188312 1306223006 /nfs/dbraw/zinc/22/30/06/1306223006.db2.gz MGDLORLELFAGMN-UHFFFAOYSA-N 2 0 345.531 2.445 10 30 EEEERP CC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC001278667566 1317608061 /nfs/dbraw/zinc/60/80/61/1317608061.db2.gz RSAQXLGIFNXTJV-BEFAXECRSA-N 2 0 337.483 2.049 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265429054 1323149957 /nfs/dbraw/zinc/14/99/57/1323149957.db2.gz KZXGRYOSDMINEY-VQTJNVASSA-N 2 0 339.483 2.101 10 30 EEEERP C[C@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266007207 1323561025 /nfs/dbraw/zinc/56/10/25/1323561025.db2.gz VJKMYHNNVROSRH-ICSRJNTNSA-N 2 0 341.499 2.349 10 30 EEEERP CN(C(=O)CCCC[NH+](C)C)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC001279315476 1323871795 /nfs/dbraw/zinc/87/17/95/1323871795.db2.gz LADGWDNKDBUQTD-UHFFFAOYSA-N 2 0 342.487 2.369 10 30 EEEERP C=CCC[NH2+]Cc1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)c(F)c1 ZINC001279722918 1323986291 /nfs/dbraw/zinc/98/62/91/1323986291.db2.gz PBXUFFBYCWIJSB-MRXNPFEDSA-N 2 0 333.451 2.449 10 30 EEEERP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001281088257 1324758750 /nfs/dbraw/zinc/75/87/50/1324758750.db2.gz RIGUXFQKSXJVEQ-FUHWJXTLSA-N 2 0 325.472 2.167 10 30 EEEERP CC#CC[NH2+]CC1(c2ccccc2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001281586411 1325325040 /nfs/dbraw/zinc/32/50/40/1325325040.db2.gz KJVNAHCMPSBNCB-UHFFFAOYSA-N 2 0 341.499 2.111 10 30 EEEERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001492078575 1330985329 /nfs/dbraw/zinc/98/53/29/1330985329.db2.gz VRQCTYSLHAJUSV-OAHLLOKOSA-N 2 0 335.879 2.128 10 30 EEEERP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001317007811 1332042512 /nfs/dbraw/zinc/04/25/12/1332042512.db2.gz RMFNVCZCURATIH-MSOLQXFVSA-N 2 0 331.504 2.101 10 30 EEEERP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317041335 1332056176 /nfs/dbraw/zinc/05/61/76/1332056176.db2.gz VAFQOGKSQPZCBE-AZUAARDMSA-N 2 0 341.499 2.483 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC001317374880 1332202136 /nfs/dbraw/zinc/20/21/36/1332202136.db2.gz MEQRFSCXRNFVSH-UHFFFAOYSA-N 2 0 349.478 2.444 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001317840993 1332427951 /nfs/dbraw/zinc/42/79/51/1332427951.db2.gz YPGSIFUKURXHCH-IEBWSBKVSA-N 2 0 331.504 2.197 10 30 EEEERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001321234487 1333050972 /nfs/dbraw/zinc/05/09/72/1333050972.db2.gz XUPLUNFBSGDXGD-DUMMIQTOSA-N 2 0 346.450 2.046 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001322341387 1333250148 /nfs/dbraw/zinc/25/01/48/1333250148.db2.gz XBHBVSLVXFRGAS-ROUUACIJSA-N 2 0 331.504 2.150 10 30 EEEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001323657802 1333510480 /nfs/dbraw/zinc/51/04/80/1333510480.db2.gz DQVFUPYWBFPXLZ-XVLXNVKGSA-N 2 0 331.504 2.384 10 30 EEEERP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001323705020 1333520482 /nfs/dbraw/zinc/52/04/82/1333520482.db2.gz NGZCJFJUMPYBFB-MOPGFXCFSA-N 2 0 331.504 2.341 10 30 EEEERP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)CC1 ZINC001323832994 1333550140 /nfs/dbraw/zinc/55/01/40/1333550140.db2.gz UFSRBTIBBPZPKR-QGZVFWFLSA-N 2 0 337.483 2.004 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC001324075062 1333602837 /nfs/dbraw/zinc/60/28/37/1333602837.db2.gz PFPOORSTUXTCMN-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](CCC2CC2)CC1 ZINC001324398079 1333674412 /nfs/dbraw/zinc/67/44/12/1333674412.db2.gz YEKJRZSVSVRHKS-VQTJNVASSA-N 2 0 345.531 2.443 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001324974951 1333800584 /nfs/dbraw/zinc/80/05/84/1333800584.db2.gz CQXXVCDXMDCYMJ-ICSRJNTNSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001325656345 1333934350 /nfs/dbraw/zinc/93/43/50/1333934350.db2.gz NYPZSOJTBNIWNI-VJANTYMQSA-N 2 0 331.504 2.149 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001328693746 1334500490 /nfs/dbraw/zinc/50/04/90/1334500490.db2.gz MYCVOMUMYGIDSE-RTBURBONSA-N 2 0 339.483 2.420 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC(C)C)[C@@H]2C)CC1 ZINC001331942562 1335682787 /nfs/dbraw/zinc/68/27/87/1335682787.db2.gz CKYHAWHOYJEYGD-PKOBYXMFSA-N 2 0 333.520 2.347 10 30 EEEERP C=C(C)CC[N@H+]1CC=C(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001333366982 1336022303 /nfs/dbraw/zinc/02/23/03/1336022303.db2.gz QSESHVDAJNLJOX-UHFFFAOYSA-N 2 0 349.519 2.059 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001566905153 1342649677 /nfs/dbraw/zinc/64/96/77/1342649677.db2.gz NQGCXTIFFQKWKT-APWZRJJASA-N 2 0 337.483 2.050 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CCCC=C)C2)CC1 ZINC001569694841 1342925068 /nfs/dbraw/zinc/92/50/68/1342925068.db2.gz ZRGSVTPGUMSWGW-HXUWFJFHSA-N 2 0 331.504 2.126 10 30 EEEERP CC[NH+](CC)C[C@H](F)C(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001676355104 1357139715 /nfs/dbraw/zinc/13/97/15/1357139715.db2.gz HAAZBFLIYDTOHC-HKUYNNGSSA-N 2 0 347.478 2.155 10 30 EEEERP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001677376625 1357324350 /nfs/dbraw/zinc/32/43/50/1357324350.db2.gz XRXMUDOTPWZIIA-UONOGXRCSA-N 2 0 335.414 2.273 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC/C=C\CC)CC1 ZINC001656109129 1354202428 /nfs/dbraw/zinc/20/24/28/1354202428.db2.gz FRGXEPQRCZVMLX-RURPWVQCSA-N 2 0 331.504 2.221 10 30 EEEERP C[NH+](C)CCCC(=O)NCCC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001660281358 1354430404 /nfs/dbraw/zinc/43/04/04/1354430404.db2.gz AVGBNGZNMQPOHS-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001662785184 1354845952 /nfs/dbraw/zinc/84/59/52/1354845952.db2.gz MLBINJPZHJXOOD-DLBZAZTESA-N 2 0 337.508 2.080 10 30 EEEERP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001667413127 1355737193 /nfs/dbraw/zinc/73/71/93/1355737193.db2.gz KKCQKVNLQODKJX-SFHVURJKSA-N 2 0 339.499 2.250 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001667771888 1355812608 /nfs/dbraw/zinc/81/26/08/1355812608.db2.gz USHIAQXHJSHUNZ-VQTJNVASSA-N 2 0 341.499 2.253 10 30 EEEERP CC#CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001672299259 1356496884 /nfs/dbraw/zinc/49/68/84/1356496884.db2.gz FAOCMIYWNSQTIX-ROUUACIJSA-N 2 0 333.520 2.206 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001672916227 1356614061 /nfs/dbraw/zinc/61/40/61/1356614061.db2.gz OJFYSDBUQLFHDW-HOTGVXAUSA-N 2 0 327.900 2.442 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001674510205 1356852378 /nfs/dbraw/zinc/85/23/78/1356852378.db2.gz GJQSNHJDQXZYHY-LJQANCHMSA-N 2 0 333.520 2.302 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698792018 1405067787 /nfs/dbraw/zinc/06/77/87/1405067787.db2.gz JDKPIRNFNANELY-IRXDYDNUSA-N 2 0 339.524 2.136 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001698862426 1405118427 /nfs/dbraw/zinc/11/84/27/1405118427.db2.gz YKLQSMSQOULFOF-INIZCTEOSA-N 2 0 345.462 2.107 10 30 EEEERP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940972585 779595840 /nfs/dbraw/zinc/59/58/40/779595840.db2.gz OBFJDWOMNVZZAP-MSOLQXFVSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000917577975 798285393 /nfs/dbraw/zinc/28/53/93/798285393.db2.gz RJRHCRJLCBZWQG-SFHVURJKSA-N 2 0 334.508 2.038 10 30 EEEERP N#Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000922239697 800001663 /nfs/dbraw/zinc/00/16/63/800001663.db2.gz KKEMWZVZMKJFDN-QGZVFWFLSA-N 2 0 327.453 2.476 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccccc1C#N ZINC001566519888 1125692279 /nfs/dbraw/zinc/69/22/79/1125692279.db2.gz JHKOLSJZPACKFA-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP CC[N@@H+](CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001566550815 1125721825 /nfs/dbraw/zinc/72/18/25/1125721825.db2.gz WIHUZKVISHHAPV-UYAOXDASSA-N 2 0 341.499 2.207 10 30 EEEERP CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C(C)C)[NH+](C)C ZINC001438838903 1091470438 /nfs/dbraw/zinc/47/04/38/1091470438.db2.gz VVWNPRKDSIPUSD-QZTJIDSGSA-N 2 0 330.476 2.129 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC001439243058 1091893410 /nfs/dbraw/zinc/89/34/10/1091893410.db2.gz UGYZJFAVDFLEBU-QANKJYHBSA-N 2 0 346.450 2.022 10 30 EEEERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001439509750 1092351617 /nfs/dbraw/zinc/35/16/17/1092351617.db2.gz GAXQFBUWOVXYQL-RBUKOAKNSA-N 2 0 342.487 2.227 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(C#N)c1 ZINC001440189233 1093252786 /nfs/dbraw/zinc/25/27/86/1093252786.db2.gz IOFZZNRWUOAICJ-RTBURBONSA-N 2 0 340.471 2.075 10 30 EEEERP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001479667635 1098714374 /nfs/dbraw/zinc/71/43/74/1098714374.db2.gz WIURMCARACNJMN-SQNIBIBYSA-N 2 0 339.499 2.413 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001480022030 1099502436 /nfs/dbraw/zinc/50/24/36/1099502436.db2.gz UTLJXGMGNNGDAL-IEBWSBKVSA-N 2 0 331.504 2.149 10 30 EEEERP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001444739735 1099615457 /nfs/dbraw/zinc/61/54/57/1099615457.db2.gz BEHZYDPOKSNWLX-PBHICJAKSA-N 2 0 348.516 2.334 10 30 EEEERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001480367850 1100143422 /nfs/dbraw/zinc/14/34/22/1100143422.db2.gz QLNHQENLMNQQDP-FQEVSTJZSA-N 2 0 339.483 2.105 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001495394296 1101114617 /nfs/dbraw/zinc/11/46/17/1101114617.db2.gz WVNXIPOOMQQLJY-RTBURBONSA-N 2 0 333.520 2.348 10 30 EEEERP CCC1([NH2+]Cc2cccc(C#N)c2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001447431291 1102641349 /nfs/dbraw/zinc/64/13/49/1102641349.db2.gz VXDIOKKDHJJUMT-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CC#Cc2ccccc2)C1 ZINC001497885517 1103255658 /nfs/dbraw/zinc/25/56/58/1103255658.db2.gz SFTCFOLHECGJLA-QUCCMNQESA-N 2 0 341.499 2.254 10 30 EEEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001447812903 1103374937 /nfs/dbraw/zinc/37/49/37/1103374937.db2.gz YLTDWHZLFYKPHW-MQBCKMQZSA-N 2 0 345.890 2.436 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]CCc2cccs2)CC1 ZINC001498658450 1107911509 /nfs/dbraw/zinc/91/15/09/1107911509.db2.gz OYWSRWYNEVLMEG-UHFFFAOYSA-N 2 0 347.528 2.074 10 30 EEEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001493851566 1108737764 /nfs/dbraw/zinc/73/77/64/1108737764.db2.gz VONLDIXPDHMTHT-PKOBYXMFSA-N 2 0 333.520 2.347 10 30 EEEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001501058364 1113183946 /nfs/dbraw/zinc/18/39/46/1113183946.db2.gz NINYJYXWILXBEV-JKSUJKDBSA-N 2 0 339.443 2.284 10 30 EEEERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001501145875 1113214918 /nfs/dbraw/zinc/21/49/18/1113214918.db2.gz GWDRSZZSZDFJRQ-QFBILLFUSA-N 2 0 342.487 2.084 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001506727793 1114838199 /nfs/dbraw/zinc/83/81/99/1114838199.db2.gz HEOSPWRUXOHEOD-FQEVSTJZSA-N 2 0 349.519 2.130 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001506727797 1114838346 /nfs/dbraw/zinc/83/83/46/1114838346.db2.gz HEOSPWRUXOHEOD-HXUWFJFHSA-N 2 0 349.519 2.130 10 30 EEEERP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001506861655 1114927866 /nfs/dbraw/zinc/92/78/66/1114927866.db2.gz WGMRPFPIWVDVEI-ARFHVFGLSA-N 2 0 339.911 2.440 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](CC[NH2+]CCC=C)C2)CC1 ZINC001568076822 1124282648 /nfs/dbraw/zinc/28/26/48/1124282648.db2.gz RVCUWWVTLWVJIS-GOSISDBHSA-N 2 0 331.504 2.126 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001568410131 1124479081 /nfs/dbraw/zinc/47/90/81/1124479081.db2.gz RLQXNEOBFCZEJA-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[N@H+](C)C1CCC1 ZINC001568640854 1124654045 /nfs/dbraw/zinc/65/40/45/1124654045.db2.gz QPPMYLQKPFNQAR-CQSZACIVSA-N 2 0 346.450 2.166 10 30 EEEERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cn2)CC1 ZINC000447528611 279374127 /nfs/dbraw/zinc/37/41/27/279374127.db2.gz ICNCIZWDNGOOJU-FUHWJXTLSA-N 2 0 327.476 2.395 10 30 EEEERP C[NH+]=C(NCc1ccc(F)c(C[NH+](C)C)c1)N1CC[C@@]2(CCOC2)C1 ZINC000262004164 682786738 /nfs/dbraw/zinc/78/67/38/682786738.db2.gz VEZLMGCUNIQELY-LJQANCHMSA-N 2 0 348.466 2.075 10 30 EEEERP CC[N@@H+]1CCC[C@@H]1CN(C)C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)=[NH+]C ZINC000262379430 685707600 /nfs/dbraw/zinc/70/76/00/685707600.db2.gz KECZCICREBAIHM-TWMKSMIVSA-N 2 0 336.524 2.182 10 30 EEEERP C[NH+]=C(NCCc1c(C)noc1C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262786365 688460708 /nfs/dbraw/zinc/46/07/08/688460708.db2.gz MPEAMDTXOGOLDV-MQVJKMGUSA-N 2 0 333.480 2.014 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](CCCF)C2)CC1 ZINC001267549989 1179337386 /nfs/dbraw/zinc/33/73/86/1179337386.db2.gz MUOPPUQJIXUTST-SFHVURJKSA-N 2 0 337.483 2.004 10 30 EEEERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267809220 1180563530 /nfs/dbraw/zinc/56/35/30/1180563530.db2.gz HHCXFWUJLRGWKI-OALUTQOASA-N 2 0 345.462 2.146 10 30 EEEERP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268088037 1181707090 /nfs/dbraw/zinc/70/70/90/1181707090.db2.gz SHENWKCJPFLDOF-QRQLOZEOSA-N 2 0 329.488 2.344 10 30 EEEERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1 ZINC001481839558 1182782945 /nfs/dbraw/zinc/78/29/45/1182782945.db2.gz WWEJJRXQWBVWOD-IBGZPJMESA-N 2 0 341.499 2.397 10 30 EEEERP C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001481851437 1182801939 /nfs/dbraw/zinc/80/19/39/1182801939.db2.gz FYNCUSTZWZTXNM-QRVBRYPASA-N 2 0 329.488 2.392 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001481983684 1183084286 /nfs/dbraw/zinc/08/42/86/1183084286.db2.gz UVOFNNPFJDEJEU-QGZVFWFLSA-N 2 0 342.487 2.228 10 30 EEEERP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001269615183 1184438968 /nfs/dbraw/zinc/43/89/68/1184438968.db2.gz PFYOHNDZYCAHLD-OXJNMPFZSA-N 2 0 331.504 2.149 10 30 EEEERP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001271102082 1185886261 /nfs/dbraw/zinc/88/62/61/1185886261.db2.gz XELKZMUIRSSLER-HUUCEWRRSA-N 2 0 331.451 2.366 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001271782724 1186480257 /nfs/dbraw/zinc/48/02/57/1186480257.db2.gz FTXDCJVGWGSZGH-VJANTYMQSA-N 2 0 333.520 2.252 10 30 EEEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001271892291 1186585572 /nfs/dbraw/zinc/58/55/72/1186585572.db2.gz RDDARLWGCHFEJP-INDMIFKZSA-N 2 0 333.520 2.463 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN(C)Cc1ccccc1 ZINC001272054397 1187292207 /nfs/dbraw/zinc/29/22/07/1187292207.db2.gz VJICAJCYEDCKNN-VQTJNVASSA-N 2 0 339.483 2.207 10 30 EEEERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001482847402 1187765710 /nfs/dbraw/zinc/76/57/10/1187765710.db2.gz RQPUWNVLVDJSKH-SUMWQHHRSA-N 2 0 334.439 2.022 10 30 EEEERP N#Cc1ccc(C[NH2+]C/C=C/CNC(=O)CC[NH+]2CCCCC2)s1 ZINC001483097406 1188472813 /nfs/dbraw/zinc/47/28/13/1188472813.db2.gz JXZCPGMCABOGRB-NSCUHMNNSA-N 2 0 346.500 2.258 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1 ZINC001483097889 1188473309 /nfs/dbraw/zinc/47/33/09/1188473309.db2.gz NIANLDAJLGMSNS-KSQPQJEDSA-N 2 0 340.471 2.193 10 30 EEEERP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)CCCC[NH+](C)C ZINC001486092991 1193679142 /nfs/dbraw/zinc/67/91/42/1193679142.db2.gz SLCAKGDNRGLXKV-QFBILLFUSA-N 2 0 342.487 2.369 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](CC(C)C)CC1 ZINC001483986691 1191143165 /nfs/dbraw/zinc/14/31/65/1191143165.db2.gz OTKXDJCLFYKGBB-ROUUACIJSA-N 2 0 333.520 2.299 10 30 EEEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001484409056 1191337563 /nfs/dbraw/zinc/33/75/63/1191337563.db2.gz ITZBHAXEZIVRKN-IXDOHACOSA-N 2 0 325.472 2.023 10 30 EEEERP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001485045503 1191625005 /nfs/dbraw/zinc/62/50/05/1191625005.db2.gz ZSVGZEJQFGNODU-UYAOXDASSA-N 2 0 327.472 2.113 10 30 EEEERP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001485263380 1191710138 /nfs/dbraw/zinc/71/01/38/1191710138.db2.gz BQXWCSJGQKNLIP-IBGZPJMESA-N 2 0 343.515 2.453 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001486210545 1193750641 /nfs/dbraw/zinc/75/06/41/1193750641.db2.gz NEQDVHPZQMSIBW-RHSMWYFYSA-N 2 0 346.450 2.024 10 30 EEEERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC001410206282 1197603495 /nfs/dbraw/zinc/60/34/95/1197603495.db2.gz AGNPHPAOFZYGJG-QGPMSJSTSA-N 2 0 346.450 2.022 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC/C=C/CC)CC1 ZINC001273428120 1198810219 /nfs/dbraw/zinc/81/02/19/1198810219.db2.gz MVRPZSKBUXOBPT-YSKLNCTFSA-N 2 0 331.504 2.411 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876762247 1199761526 /nfs/dbraw/zinc/76/15/26/1199761526.db2.gz CXZFFRWSPSSOOV-IAGOWNOFSA-N 2 0 335.879 2.437 10 30 EEEERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000869236523 1201970938 /nfs/dbraw/zinc/97/09/38/1201970938.db2.gz BGOYVGGIORSHOC-AWEZNQCLSA-N 2 0 341.459 2.041 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000900158556 1234054775 /nfs/dbraw/zinc/05/47/75/1234054775.db2.gz QONDNHKLBSQUAG-LJQANCHMSA-N 2 0 329.488 2.447 10 30 EEEERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001491558157 1303520522 /nfs/dbraw/zinc/52/05/22/1303520522.db2.gz IWCTVVKLLARZRY-LSDHHAIUSA-N 2 0 348.516 2.336 10 30 EEEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001264120878 1322633441 /nfs/dbraw/zinc/63/34/41/1322633441.db2.gz SOTOPVWPGDEABI-RBUKOAKNSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH2+]CC=C)CC1 ZINC001264521322 1322724726 /nfs/dbraw/zinc/72/47/26/1322724726.db2.gz YAJCYWRXMSZQDK-HKUYNNGSSA-N 2 0 331.504 2.124 10 30 EEEERP C[N@@H+](CC#Cc1cccc(Cl)c1)CCCNC(=O)C[NH+]1CCCC1 ZINC001265069005 1322905241 /nfs/dbraw/zinc/90/52/41/1322905241.db2.gz XGBNMZOMQKITHZ-UHFFFAOYSA-N 2 0 347.890 2.225 10 30 EEEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001265682214 1323318451 /nfs/dbraw/zinc/31/84/51/1323318451.db2.gz NGKBLAQLVDGPOS-QAPCUYQASA-N 2 0 325.472 2.356 10 30 EEEERP C=CCOCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001265733954 1323355492 /nfs/dbraw/zinc/35/54/92/1323355492.db2.gz JUSUILBYGFYOTC-DAWZGUTISA-N 2 0 337.508 2.079 10 30 EEEERP CC#CC[NH2+]CCc1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001266086357 1323644678 /nfs/dbraw/zinc/64/46/78/1323644678.db2.gz LZWSAVVCZRQVNE-UHFFFAOYSA-N 2 0 343.515 2.436 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001279288887 1323864561 /nfs/dbraw/zinc/86/45/61/1323864561.db2.gz QHDLWBAXBKRBJP-WGSAOQKQSA-N 2 0 333.520 2.398 10 30 EEEERP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001281088258 1324758467 /nfs/dbraw/zinc/75/84/67/1324758467.db2.gz RIGUXFQKSXJVEQ-SJLPKXTDSA-N 2 0 325.472 2.167 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001281670084 1325387787 /nfs/dbraw/zinc/38/77/87/1325387787.db2.gz LUCCHTJYGHLWHQ-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC2=CCCCC2)CC1 ZINC001282498171 1325733671 /nfs/dbraw/zinc/73/36/71/1325733671.db2.gz WCFUBAYHDYQGLI-KRWDZBQOSA-N 2 0 331.504 2.269 10 30 EEEERP C#CC[NH+]1CCC(C2(NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)CC2)CC1 ZINC001284846555 1326741898 /nfs/dbraw/zinc/74/18/98/1326741898.db2.gz QGEBQBZPGHMBAK-LJQANCHMSA-N 2 0 349.494 2.193 10 30 EEEERP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001492035285 1330458931 /nfs/dbraw/zinc/45/89/31/1330458931.db2.gz VOPRYJBCERCLAT-INIZCTEOSA-N 2 0 345.462 2.146 10 30 EEEERP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cc(F)ccc1C#N ZINC001492078552 1330985482 /nfs/dbraw/zinc/98/54/82/1330985482.db2.gz VEGLGTZMLHUUDY-CQSZACIVSA-N 2 0 346.450 2.024 10 30 EEEERP C=CCOCC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317384498 1332209697 /nfs/dbraw/zinc/20/96/97/1332209697.db2.gz XHBGZYMRECKBFK-KRWDZBQOSA-N 2 0 339.524 2.090 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CC/C=C\CC)C2)CC1 ZINC001317863592 1332435433 /nfs/dbraw/zinc/43/54/33/1332435433.db2.gz OCVINOMLHHDADR-LIXSYLKWSA-N 2 0 345.531 2.468 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](C)CCC3CC3)CC2)CC1 ZINC001317883415 1332440923 /nfs/dbraw/zinc/44/09/23/1332440923.db2.gz BBMGBKLUGDOHMK-UHFFFAOYSA-N 2 0 345.531 2.302 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001318841811 1332608532 /nfs/dbraw/zinc/60/85/32/1332608532.db2.gz FQQPKCHOCIGJRX-RTBURBONSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCCC1 ZINC001319664002 1332737182 /nfs/dbraw/zinc/73/71/82/1332737182.db2.gz QVOFJGABXWVWNA-ICSRJNTNSA-N 2 0 331.504 2.150 10 30 EEEERP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001319889282 1332792904 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ZINC001507390361 1115247187 /nfs/dbraw/zinc/24/71/87/1115247187.db2.gz VGVNPMHHQIZBFC-HXUWFJFHSA-N 2 0 341.499 2.059 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)c(F)c1 ZINC001508235944 1115456637 /nfs/dbraw/zinc/45/66/37/1115456637.db2.gz ODVRIVPNYRXLEQ-GOSISDBHSA-N 2 0 331.435 2.039 10 30 EEEERP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@@H]21 ZINC001568513425 1124573593 /nfs/dbraw/zinc/57/35/93/1124573593.db2.gz LFLNOEMFPRBWGL-MOPGFXCFSA-N 2 0 345.531 2.445 10 30 EEEERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001568999550 1125031800 /nfs/dbraw/zinc/03/18/00/1125031800.db2.gz SEUBKXPFYMJURM-RHSMWYFYSA-N 2 0 335.879 2.126 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000417066707 466769026 /nfs/dbraw/zinc/76/90/26/466769026.db2.gz QZRLUGVTHJJCDK-AZUAARDMSA-N 2 0 348.535 2.470 10 30 EEEERP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]2CCCC2)o1 ZINC000594439271 468587533 /nfs/dbraw/zinc/58/75/33/468587533.db2.gz UQHYRBAFBZWEOR-HZPDHXFCSA-N 2 0 332.448 2.252 10 30 EEEERP C[NH+](C)Cc1cc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)ccc1F ZINC000600723221 468636445 /nfs/dbraw/zinc/63/64/45/468636445.db2.gz BMQHZQSXHHGKDR-KRWDZBQOSA-N 2 0 349.450 2.048 10 30 EEEERP C=CC[C@@]1(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662679818 472201788 /nfs/dbraw/zinc/20/17/88/472201788.db2.gz CZLLAJREOFVRDS-FQEVSTJZSA-N 2 0 327.472 2.249 10 30 EEEERP C[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261663727 676376493 /nfs/dbraw/zinc/37/64/93/676376493.db2.gz BEAUHQYTDAFAIO-BZSNNMDCSA-N 2 0 346.523 2.216 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000914331094 683502381 /nfs/dbraw/zinc/50/23/81/683502381.db2.gz JJXMWBOMBWUDEL-IRXDYDNUSA-N 2 0 348.535 2.140 10 30 EEEERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000925608754 684629713 /nfs/dbraw/zinc/62/97/13/684629713.db2.gz JBMFZYOCSIDYDR-NVXWUHKLSA-N 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C#CCN1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC=C(C)C ZINC001267169798 1178390238 /nfs/dbraw/zinc/39/02/38/1178390238.db2.gz XMQUAUHNEVZTLC-MOPGFXCFSA-N 2 0 331.504 2.411 10 30 EEEERP C[C@H](C(=O)N(C)CC[NH2+]Cc1cccc(C#N)c1)[NH+]1CCCCCC1 ZINC001267436618 1179010060 /nfs/dbraw/zinc/01/00/60/1179010060.db2.gz MEABYHQEFXWUNT-QGZVFWFLSA-N 2 0 342.487 2.371 10 30 EEEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001481334511 1181058142 /nfs/dbraw/zinc/05/81/42/1181058142.db2.gz YPCPACHCSDMMEJ-HKUYNNGSSA-N 2 0 333.520 2.347 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001481452308 1181389257 /nfs/dbraw/zinc/38/92/57/1181389257.db2.gz LVADRTGJNNWIEQ-GOSISDBHSA-N 2 0 327.472 2.213 10 30 EEEERP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268088039 1181706875 /nfs/dbraw/zinc/70/68/75/1181706875.db2.gz SHENWKCJPFLDOF-UHOSZYNNSA-N 2 0 329.488 2.344 10 30 EEEERP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268389464 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CC#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272670572 1191009280 /nfs/dbraw/zinc/00/92/80/1191009280.db2.gz VLJWJWQRMJCIKU-FQEVSTJZSA-N 2 0 339.483 2.100 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)(C)C ZINC001486412401 1193921457 /nfs/dbraw/zinc/92/14/57/1193921457.db2.gz WFLHMIIRGXYHHT-KXBFYZLASA-N 2 0 339.499 2.343 10 30 EEEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001486453231 1193975158 /nfs/dbraw/zinc/97/51/58/1193975158.db2.gz XEZWBNCYAMATOV-LSDHHAIUSA-N 2 0 347.425 2.417 10 30 EEEERP C=CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1Cc2ccccc2O1 ZINC000883191803 1202029215 /nfs/dbraw/zinc/02/92/15/1202029215.db2.gz JYRRRCQMIKSRHP-PKOBYXMFSA-N 2 0 330.472 2.371 10 30 EEEERP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001274345677 1205006400 /nfs/dbraw/zinc/00/64/00/1205006400.db2.gz XYFJVICUVKPDJK-MSOLQXFVSA-N 2 0 349.519 2.177 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001275572054 1205423058 /nfs/dbraw/zinc/42/30/58/1205423058.db2.gz SUGLWJOFHWFKFV-IRXDYDNUSA-N 2 0 333.520 2.395 10 30 EEEERP CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000925848456 1206160084 /nfs/dbraw/zinc/16/00/84/1206160084.db2.gz AUIGJWBMUFAYOV-SJORKVTESA-N 2 0 327.428 2.284 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691736730 1210719871 /nfs/dbraw/zinc/71/98/71/1210719871.db2.gz BZNNTBCUZSGRBP-SCTDSRPQSA-N 2 0 331.504 2.291 10 30 EEEERP C=C(C)[C@H](CO)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604058 1293579652 /nfs/dbraw/zinc/57/96/52/1293579652.db2.gz SIULHSHUWAFFOU-OALUTQOASA-N 2 0 333.476 2.312 10 30 EEEERP C=CCCC[NH+]1CCC2(CO[C@H](CNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001278101122 1305943934 /nfs/dbraw/zinc/94/39/34/1305943934.db2.gz DQNCGEILDVEMEW-SFHVURJKSA-N 2 0 349.519 2.036 10 30 EEEERP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001278336026 1309553428 /nfs/dbraw/zinc/55/34/28/1309553428.db2.gz OBPLCLLYGJOQMO-MJGOQNOKSA-N 2 0 337.483 2.004 10 30 EEEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCOCC1 ZINC001278726543 1317883398 /nfs/dbraw/zinc/88/33/98/1317883398.db2.gz WOIVTHRVALNLRX-QGZVFWFLSA-N 2 0 337.508 2.080 10 30 EEEERP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001278964207 1318854877 /nfs/dbraw/zinc/85/48/77/1318854877.db2.gz OWYIRPIJJKKGLN-IBGZPJMESA-N 2 0 333.520 2.302 10 30 EEEERP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)CC#Cc2ccc(F)cc2)CCC1 ZINC001264994916 1322843407 /nfs/dbraw/zinc/84/34/07/1322843407.db2.gz MZKZBWAZIMEKEM-UHFFFAOYSA-N 2 0 345.462 2.100 10 30 EEEERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc(C#N)cc1 ZINC001265142499 1322945295 /nfs/dbraw/zinc/94/52/95/1322945295.db2.gz JYRBYXAYFHQXCY-IBGZPJMESA-N 2 0 342.487 2.228 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001265343981 1323087838 /nfs/dbraw/zinc/08/78/38/1323087838.db2.gz QHYUBOFKHBLMHH-UHFFFAOYSA-N 2 0 345.531 2.445 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1330204400 /nfs/dbraw/zinc/20/44/00/1330204400.db2.gz NXROAMLORRGRKI-QGZVFWFLSA-N 2 0 333.520 2.396 10 30 EEEERP C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001317201158 1332129822 /nfs/dbraw/zinc/12/98/22/1332129822.db2.gz ZBIVNCURDDJXGC-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CC/C=C/CC)C2)CC1 ZINC001317863589 1332435356 /nfs/dbraw/zinc/43/53/56/1332435356.db2.gz OCVINOMLHHDADR-GHOSXJJBSA-N 2 0 345.531 2.468 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1CC ZINC001323167950 1333402361 /nfs/dbraw/zinc/40/23/61/1333402361.db2.gz KFODOEFFAMQQET-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001325655626 1333933939 /nfs/dbraw/zinc/93/39/39/1333933939.db2.gz HEYWYYPGGIBANC-GUDVDZBRSA-N 2 0 333.520 2.395 10 30 EEEERP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001325915065 1333992703 /nfs/dbraw/zinc/99/27/03/1333992703.db2.gz CFWUXWZRNLTEJC-OALUTQOASA-N 2 0 331.504 2.341 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001330818174 1334908451 /nfs/dbraw/zinc/90/84/51/1334908451.db2.gz AEVRNRLFCMTGFA-GPMSIDNRSA-N 2 0 342.487 2.273 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001332812190 1335912114 /nfs/dbraw/zinc/91/21/14/1335912114.db2.gz ZENFADBFUYQQMX-FUHWJXTLSA-N 2 0 333.520 2.395 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C[C@H](F)CC)C(C)(C)C)CC1 ZINC001332898603 1335927033 /nfs/dbraw/zinc/92/70/33/1335927033.db2.gz KJAHHULMQGRSRO-SJORKVTESA-N 2 0 339.499 2.200 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCCC=C)C(C)(C)C)CC1 ZINC001332899562 1335927340 /nfs/dbraw/zinc/92/73/40/1335927340.db2.gz QUWZDTPONQWMBW-GOSISDBHSA-N 2 0 333.520 2.418 10 30 EEEERP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001339067871 1336953327 /nfs/dbraw/zinc/95/33/27/1336953327.db2.gz HXTJTYLCMRMHOS-QGZVFWFLSA-N 2 0 346.523 2.051 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001500292316 1342139367 /nfs/dbraw/zinc/13/93/67/1342139367.db2.gz IBTNOEWLAOMVAH-ROUKRRSUSA-N 2 0 331.504 2.269 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001566905157 1342649834 /nfs/dbraw/zinc/64/98/34/1342649834.db2.gz NQGCXTIFFQKWKT-QFBILLFUSA-N 2 0 337.483 2.050 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001691757449 1357523382 /nfs/dbraw/zinc/52/33/82/1357523382.db2.gz IOYSPXCEUPJHHP-CMKODMSKSA-N 2 0 347.547 2.498 10 30 EEEERP CN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)C[N@H+](C)C1CCC1 ZINC001663985898 1355068441 /nfs/dbraw/zinc/06/84/41/1355068441.db2.gz PJQWZBMJTACEME-UHFFFAOYSA-N 2 0 347.890 2.224 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001664599923 1355197688 /nfs/dbraw/zinc/19/76/88/1355197688.db2.gz WHEIXJWBSIHOSP-RTBURBONSA-N 2 0 327.472 2.331 10 30 EEEERP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001667413125 1355737402 /nfs/dbraw/zinc/73/74/02/1355737402.db2.gz KKCQKVNLQODKJX-GOSISDBHSA-N 2 0 339.499 2.250 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001671464859 1356343695 /nfs/dbraw/zinc/34/36/95/1356343695.db2.gz AULZFXIBFNWANG-HKUYNNGSSA-N 2 0 331.504 2.362 10 30 EEEERP C#CCN(C(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC[NH+](CCC(=C)C)CC1 ZINC001671504145 1356351982 /nfs/dbraw/zinc/35/19/82/1356351982.db2.gz PRQMXGZQTMOOCO-NRFANRHFSA-N 2 0 343.515 2.365 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]C[C@@H](C)CC)C2)CC1 ZINC001672915240 1356614018 /nfs/dbraw/zinc/61/40/18/1356614018.db2.gz GRZWHCCIOPKHNK-ROUUACIJSA-N 2 0 333.520 2.206 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001672915951 1356614383 /nfs/dbraw/zinc/61/43/83/1356614383.db2.gz LFHGXACZXMIJDZ-OAHLLOKOSA-N 2 0 348.516 2.288 10 30 EEEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001675599024 1357011943 /nfs/dbraw/zinc/01/19/43/1357011943.db2.gz LGJYCTAAHSCDOL-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001698621853 1405012157 /nfs/dbraw/zinc/01/21/57/1405012157.db2.gz ZGGFRDFSSFSEOF-IEBWSBKVSA-N 2 0 345.462 2.003 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001698932139 1405170128 /nfs/dbraw/zinc/17/01/28/1405170128.db2.gz BAMDHKDBJHAHRH-PXNSSMCTSA-N 2 0 345.531 2.348 10 30 EEEERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001699759104 1405469550 /nfs/dbraw/zinc/46/95/50/1405469550.db2.gz QVWYPEHVEYDYKK-OALUTQOASA-N 2 0 345.462 2.098 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)c1sccc1C[NH+](C)C)C1CCCC1 ZINC001699788321 1405485224 /nfs/dbraw/zinc/48/52/24/1405485224.db2.gz BAGDMOVKTWAMOH-INIZCTEOSA-N 2 0 333.501 2.321 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCC3CCCC3)[C@@H](C)C2)CC1 ZINC000939810347 777426429 /nfs/dbraw/zinc/42/64/29/777426429.db2.gz LTKRBJUWOUZAJG-PXNSSMCTSA-N 2 0 345.531 2.348 10 30 EEEERP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941027200 779737192 /nfs/dbraw/zinc/73/71/92/779737192.db2.gz BOFFSZRZRYHSAI-IBGZPJMESA-N 2 0 341.499 2.254 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000911291394 787359875 /nfs/dbraw/zinc/35/98/75/787359875.db2.gz GFPFTPNAIVVDLS-RBUKOAKNSA-N 2 0 327.472 2.227 10 30 EEEERP CCc1nc(CNC(=[NH+]C)N2CC[C@H](C[NH+]3CCCC3)C2)cs1 ZINC000152075898 794509744 /nfs/dbraw/zinc/50/97/44/794509744.db2.gz LUNYLTMESYQGMN-CQSZACIVSA-N 2 0 335.521 2.199 10 30 EEEERP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001445609197 1091403018 /nfs/dbraw/zinc/40/30/18/1091403018.db2.gz IAEHLNZDIHHZGV-KBPBESRZSA-N 2 0 346.313 2.252 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC001440656768 1093929299 /nfs/dbraw/zinc/92/92/99/1093929299.db2.gz AHAMQQDOZUXJCY-ZYSHUDEJSA-N 2 0 342.487 2.273 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001441524220 1095224694 /nfs/dbraw/zinc/22/46/94/1095224694.db2.gz OPXBXSZFHXRWTD-LPHOPBHVSA-N 2 0 342.487 2.369 10 30 EEEERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001480180715 1099766258 /nfs/dbraw/zinc/76/62/58/1099766258.db2.gz HNAWQTVETWAWGI-YQQQUEKLSA-N 2 0 340.471 2.122 10 30 EEEERP C#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001480187505 1099780766 /nfs/dbraw/zinc/78/07/66/1099780766.db2.gz CURMBPIXQOIKIL-RTBURBONSA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001480263279 1099950180 /nfs/dbraw/zinc/95/01/80/1099950180.db2.gz MKDMFOLQSSYKGE-FQEVSTJZSA-N 2 0 341.499 2.012 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001445110006 1100349563 /nfs/dbraw/zinc/34/95/63/1100349563.db2.gz LSOZUHSQXNDRCH-RBUKOAKNSA-N 2 0 342.487 2.273 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001495446690 1101160784 /nfs/dbraw/zinc/16/07/84/1101160784.db2.gz YEYXFUKEQROKQO-UHFFFAOYSA-N 2 0 333.520 2.494 10 30 EEEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497229940 1102161236 /nfs/dbraw/zinc/16/12/36/1102161236.db2.gz UEQPMGQZLCQUAR-HNNXBMFYSA-N 2 0 327.432 2.332 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001480715492 1106947214 /nfs/dbraw/zinc/94/72/14/1106947214.db2.gz ZKHNQSWDBBDTMG-WOJBJXKFSA-N 2 0 339.483 2.085 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC/C=C/CC)C2)CC1 ZINC001479349210 1110684736 /nfs/dbraw/zinc/68/47/36/1110684736.db2.gz YTYCDYALGMDLIM-BFFLEHSSSA-N 2 0 331.504 2.172 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001500029298 1112584386 /nfs/dbraw/zinc/58/43/86/1112584386.db2.gz IRSCQMQIMHFUEU-LJQANCHMSA-N 2 0 345.531 2.443 10 30 EEEERP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001500505644 1112896645 /nfs/dbraw/zinc/89/66/45/1112896645.db2.gz USCFMFVUELWUAF-UYAOXDASSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001501053478 1113182207 /nfs/dbraw/zinc/18/22/07/1113182207.db2.gz IQSAWQDTNXUKMF-SJORKVTESA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001501394713 1113340443 /nfs/dbraw/zinc/34/04/43/1113340443.db2.gz JJEOYWZYCPAPGI-MSOLQXFVSA-N 2 0 331.504 2.197 10 30 EEEERP C=CCC[C@@H](C)[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001503700296 1113901032 /nfs/dbraw/zinc/90/10/32/1113901032.db2.gz HFFQOWFXVMIGDC-QZTJIDSGSA-N 2 0 349.519 2.129 10 30 EEEERP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001505400625 1113938290 /nfs/dbraw/zinc/93/82/90/1113938290.db2.gz XGLRJOVDWWKLJF-UHFFFAOYSA-N 2 0 339.911 2.395 10 30 EEEERP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC001506869073 1114940042 /nfs/dbraw/zinc/94/00/42/1114940042.db2.gz QFXJGHXHGJRWNT-YSIASYRMSA-N 2 0 333.520 2.465 10 30 EEEERP CN(Cc1ccc(C#N)o1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190315129 160158011 /nfs/dbraw/zinc/15/80/11/160158011.db2.gz SVOMRPJXLNYENX-IBGZPJMESA-N 2 0 325.412 2.220 10 30 EEEERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437213 468586753 /nfs/dbraw/zinc/58/67/53/468586753.db2.gz JFRXRYCHTFTACX-NXHRZFHOSA-N 2 0 328.460 2.349 10 30 EEEERP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594443303 468590227 /nfs/dbraw/zinc/59/02/27/468590227.db2.gz CNDPIEAQXVWDJZ-QZTJIDSGSA-N 2 0 328.460 2.133 10 30 EEEERP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599351931 469222990 /nfs/dbraw/zinc/22/29/90/469222990.db2.gz LAGFNKOJZYATOZ-SFHVURJKSA-N 2 0 337.508 2.112 10 30 EEEERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1)[NH+](C)C ZINC001266549862 1176816496 /nfs/dbraw/zinc/81/64/96/1176816496.db2.gz KWEHPSRAABSEHP-ROUUACIJSA-N 2 0 347.890 2.222 10 30 EEEERP C=C(Br)C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001417837014 1177057058 /nfs/dbraw/zinc/05/70/58/1177057058.db2.gz CVQFCAIWPXSKRM-CQSZACIVSA-N 2 0 346.313 2.208 10 30 EEEERP C=C(Br)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001691374447 1177980765 /nfs/dbraw/zinc/98/07/65/1177980765.db2.gz ZPBLSSWELJERKA-AWEZNQCLSA-N 2 0 346.313 2.063 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267092646 1178223017 /nfs/dbraw/zinc/22/30/17/1178223017.db2.gz DTIUOZJXCJMHAQ-VQTJNVASSA-N 2 0 341.499 2.395 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC#Cc1ccccc1 ZINC001267393641 1178963946 /nfs/dbraw/zinc/96/39/46/1178963946.db2.gz OHYNBMFOIZAJAJ-FQEVSTJZSA-N 2 0 341.499 2.207 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267685039 1180157338 /nfs/dbraw/zinc/15/73/38/1180157338.db2.gz XDSVTJPFKAOUSG-QFBILLFUSA-N 2 0 337.483 2.003 10 30 EEEERP CC#CC[NH2+]C[C@@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001267873075 1180663018 /nfs/dbraw/zinc/66/30/18/1180663018.db2.gz HHNPGAYQBHHPHX-PXNSSMCTSA-N 2 0 333.520 2.396 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001481432761 1181322268 /nfs/dbraw/zinc/32/22/68/1181322268.db2.gz PQWPNLUZMHHCIR-CVEARBPZSA-N 2 0 327.900 2.440 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC(=C)Cl)CC(C)C)CC1 ZINC001268116566 1181761240 /nfs/dbraw/zinc/76/12/40/1181761240.db2.gz PYUAPOWRJWHBDA-KRWDZBQOSA-N 2 0 339.911 2.205 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001268138900 1181798352 /nfs/dbraw/zinc/79/83/52/1181798352.db2.gz AQAHQBNWYUBPPE-LPHOPBHVSA-N 2 0 327.472 2.212 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC001268161392 1181875120 /nfs/dbraw/zinc/87/51/20/1181875120.db2.gz DLBRHLLKOPDHJJ-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001268183119 1181971980 /nfs/dbraw/zinc/97/19/80/1181971980.db2.gz YOKJUWKLLLMEKR-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001268284064 1182156701 /nfs/dbraw/zinc/15/67/01/1182156701.db2.gz MTQIPIPLCINZOW-AZUAARDMSA-N 2 0 341.499 2.302 10 30 EEEERP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001481845935 1182789226 /nfs/dbraw/zinc/78/92/26/1182789226.db2.gz PGQAKMUUUMFWNY-MRXNPFEDSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001482034150 1183182140 /nfs/dbraw/zinc/18/21/40/1183182140.db2.gz VTOFXRHIJRXQGT-IBGZPJMESA-N 2 0 327.472 2.289 10 30 EEEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001284738500 1184753926 /nfs/dbraw/zinc/75/39/26/1184753926.db2.gz YZRQPCZGWAIZTG-KGLIPLIRSA-N 2 0 335.414 2.273 10 30 EEEERP CC(C)C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001271287154 1186121888 /nfs/dbraw/zinc/12/18/88/1186121888.db2.gz ZJOFPMVNHDYYIW-VQTJNVASSA-N 2 0 341.499 2.253 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001482531054 1186524013 /nfs/dbraw/zinc/52/40/13/1186524013.db2.gz IZZCVLPYBHERLY-HKUYNNGSSA-N 2 0 333.520 2.395 10 30 EEEERP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001271873141 1186568660 /nfs/dbraw/zinc/56/86/60/1186568660.db2.gz CHCHNZNSOIDZPG-KDURUIRLSA-N 2 0 333.520 2.465 10 30 EEEERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001482571984 1186918541 /nfs/dbraw/zinc/91/85/41/1186918541.db2.gz WCSWWGZTTMGLKI-SFHVURJKSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001483096197 1188470334 /nfs/dbraw/zinc/47/03/34/1188470334.db2.gz AGWMTGVHGFMYJV-LKGOPFMKSA-N 2 0 339.483 2.355 10 30 EEEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001691629576 1188878657 /nfs/dbraw/zinc/87/86/57/1188878657.db2.gz QXKQUOICNIOJKF-ZWKOTPCHSA-N 2 0 342.487 2.138 10 30 EEEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001691629574 1188879161 /nfs/dbraw/zinc/87/91/61/1188879161.db2.gz QXKQUOICNIOJKF-QZTJIDSGSA-N 2 0 342.487 2.138 10 30 EEEERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001409406289 1189634327 /nfs/dbraw/zinc/63/43/27/1189634327.db2.gz LRKHWCBNJFMHMW-UONOGXRCSA-N 2 0 346.450 2.022 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001272321177 1190760313 /nfs/dbraw/zinc/76/03/13/1190760313.db2.gz FVEHBSFYYZIIJI-OALUTQOASA-N 2 0 331.504 2.006 10 30 EEEERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001272564543 1190880103 /nfs/dbraw/zinc/88/01/03/1190880103.db2.gz HGYZPYLXCAUWMN-APWZRJJASA-N 2 0 342.487 2.227 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001483817812 1191046192 /nfs/dbraw/zinc/04/61/92/1191046192.db2.gz ZTTKVAOZSPNVHO-UXHICEINSA-N 2 0 343.515 2.340 10 30 EEEERP C#CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1CC[NH+](CC2CC2)CC1 ZINC001483985103 1191142386 /nfs/dbraw/zinc/14/23/86/1191142386.db2.gz KQXJRBQNVQJJQR-GOSISDBHSA-N 2 0 337.483 2.003 10 30 EEEERP C=CC[N@H+]1CCc2c(CNC(=O)C3(C[NH+](C)C)CC3)cccc2C1 ZINC001484612647 1191437799 /nfs/dbraw/zinc/43/77/99/1191437799.db2.gz KONGRSYCNSKPQN-UHFFFAOYSA-N 2 0 327.472 2.189 10 30 EEEERP C=CCCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001484822261 1191541028 /nfs/dbraw/zinc/54/10/28/1191541028.db2.gz DHERQOZJVCIUAV-LJQANCHMSA-N 2 0 329.488 2.447 10 30 EEEERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001486475847 1193989239 /nfs/dbraw/zinc/98/92/39/1193989239.db2.gz ZEIJMLXVBIJNGL-UHFFFAOYSA-N 2 0 347.890 2.222 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001273204496 1197516172 /nfs/dbraw/zinc/51/61/72/1197516172.db2.gz LJUYIGFRAJPBBR-VQIMIIECSA-N 2 0 342.487 2.417 10 30 EEEERP C=CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000883176077 1202025954 /nfs/dbraw/zinc/02/59/54/1202025954.db2.gz VBIXYEYTBARRKO-HBFSDRIKSA-N 2 0 330.472 2.371 10 30 EEEERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001274339685 1205002304 /nfs/dbraw/zinc/00/23/04/1205002304.db2.gz OVNMGJXTZZQKOU-DUMMIQTOSA-N 2 0 346.450 2.046 10 30 EEEERP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001274855104 1205188328 /nfs/dbraw/zinc/18/83/28/1205188328.db2.gz CGZHODSDKKQHAO-XLIONFOSSA-N 2 0 339.483 2.067 10 30 EEEERP C=CCC[NH2+]CC1(NC(=O)[C@H]2CCc3cncn3C2)CCCCC1 ZINC001276208737 1205834104 /nfs/dbraw/zinc/83/41/04/1205834104.db2.gz SNFNXDJVGFXOAP-INIZCTEOSA-N 2 0 330.476 2.430 10 30 EEEERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(c3ccc(C#N)cn3)CC1)[NH2+]2 ZINC000925607182 1206135156 /nfs/dbraw/zinc/13/51/56/1206135156.db2.gz AISGUGZHYKIPEB-BVPBIZIASA-N 2 0 325.460 2.041 10 30 EEEERP C=CCCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273823976 1286464327 /nfs/dbraw/zinc/46/43/27/1286464327.db2.gz GHEOLNFOGHIXKA-PMACEKPBSA-N 2 0 341.499 2.447 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2n(n1)CCC[C@@H]2[NH3+])C(C)C ZINC001121991229 1310194434 /nfs/dbraw/zinc/19/44/34/1310194434.db2.gz OEAIVSCBSLBKRL-YJBOKZPZSA-N 2 0 345.491 2.105 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCF)[C@@H]2C)CC1 ZINC001489311946 1290540571 /nfs/dbraw/zinc/54/05/71/1290540571.db2.gz PRSKVQFLEYOPTJ-AEFFLSMTSA-N 2 0 337.483 2.050 10 30 EEEERP C[N@H+](CC(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)C1CC1)C1CCC1 ZINC001490673950 1291557886 /nfs/dbraw/zinc/55/78/86/1291557886.db2.gz NANCWDKPDWWWKY-HXUWFJFHSA-N 2 0 339.483 2.007 10 30 EEEERP C#CCC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001277541636 1303862432 /nfs/dbraw/zinc/86/24/32/1303862432.db2.gz ITEXVQVZMDLIDX-MOPGFXCFSA-N 2 0 327.472 2.331 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001278434720 1310255073 /nfs/dbraw/zinc/25/50/73/1310255073.db2.gz UXVVLJPQNBUZIY-QFBILLFUSA-N 2 0 337.508 2.033 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001278480545 1310545199 /nfs/dbraw/zinc/54/51/99/1310545199.db2.gz LMHAVVKDGXZJNC-GBESFXJTSA-N 2 0 343.515 2.102 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001278516180 1317081271 /nfs/dbraw/zinc/08/12/71/1317081271.db2.gz OWXVSTVIPFWKFR-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP C=CC[C@]1(C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)CCC[NH2+]1 ZINC001263237406 1322446958 /nfs/dbraw/zinc/44/69/58/1322446958.db2.gz KSWJUEZGRNPZOQ-HXUWFJFHSA-N 2 0 327.472 2.204 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001265092072 1322916023 /nfs/dbraw/zinc/91/60/23/1322916023.db2.gz NDBPJTBTJGBRDW-LPHOPBHVSA-N 2 0 331.504 2.101 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001265147826 1322948856 /nfs/dbraw/zinc/94/88/56/1322948856.db2.gz LVYVAJUNEXRBAZ-UHFFFAOYSA-N 2 0 347.425 2.112 10 30 EEEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265401207 1323132500 /nfs/dbraw/zinc/13/25/00/1323132500.db2.gz NDJSRCJBOOEMIE-MOPGFXCFSA-N 2 0 333.520 2.301 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266074628 1323630002 /nfs/dbraw/zinc/63/00/02/1323630002.db2.gz CAFKOOBFXZGZNT-UXHICEINSA-N 2 0 341.499 2.397 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CCCCC)C2)CC1 ZINC001280309165 1324152822 /nfs/dbraw/zinc/15/28/22/1324152822.db2.gz YWKXBGXUHJDHFW-SFHVURJKSA-N 2 0 333.520 2.350 10 30 EEEERP C#CC[NH+]1CCC(CCCCCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001281063566 1324750825 /nfs/dbraw/zinc/75/08/25/1324750825.db2.gz QWMXRALKSDFTIO-NRFANRHFSA-N 2 0 345.531 2.494 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3cnc[nH]3)C[C@@]2(C)C1 ZINC001282991991 1325870858 /nfs/dbraw/zinc/87/08/58/1325870858.db2.gz DJFBZVORJIJDNP-ZYSHUDEJSA-N 2 0 330.476 2.477 10 30 EEEERP CC#CC[NH2+][C@H](CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001283456926 1326080019 /nfs/dbraw/zinc/08/00/19/1326080019.db2.gz KALQITBIXJSXRN-VQIMIIECSA-N 2 0 339.499 2.343 10 30 EEEERP C[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)CN1C(=O)CCC[NH+](C)C ZINC001284005010 1326358993 /nfs/dbraw/zinc/35/89/93/1326358993.db2.gz VBRPWGMZDNOXJG-QFBILLFUSA-N 2 0 345.462 2.098 10 30 EEEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001284374736 1326526468 /nfs/dbraw/zinc/52/64/68/1326526468.db2.gz RTAQDCHNBQKRQO-GJZGRUSLSA-N 2 0 347.425 2.275 10 30 EEEERP C#CCC[NH2+]C[C@@H](NC(=O)c1cnn(-c2ccncc2)c1)C(C)(C)C ZINC001284640259 1326643423 /nfs/dbraw/zinc/64/34/23/1326643423.db2.gz FSROZRONOGOZKZ-QGZVFWFLSA-N 2 0 339.443 2.025 10 30 EEEERP C=CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001284736478 1326689339 /nfs/dbraw/zinc/68/93/39/1326689339.db2.gz HKLRVODFDHQCDV-CABCVRRESA-N 2 0 347.425 2.417 10 30 EEEERP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001284736490 1326689457 /nfs/dbraw/zinc/68/94/57/1326689457.db2.gz HKLRVODFDHQCDV-LSDHHAIUSA-N 2 0 347.425 2.417 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001316688351 1331338234 /nfs/dbraw/zinc/33/82/34/1331338234.db2.gz YEPMVGUAKNYUEL-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001317192420 1332124186 /nfs/dbraw/zinc/12/41/86/1332124186.db2.gz NDCZPLFANQBESW-LJQANCHMSA-N 2 0 327.472 2.008 10 30 EEEERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001317342790 1332187076 /nfs/dbraw/zinc/18/70/76/1332187076.db2.gz IQDIRJWVOXJDDK-IBGZPJMESA-N 2 0 342.487 2.228 10 30 EEEERP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001319888933 1332792840 /nfs/dbraw/zinc/79/28/40/1332792840.db2.gz DPFWDDPAQHQKEC-LJQANCHMSA-N 2 0 333.520 2.445 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001325582308 1333917014 /nfs/dbraw/zinc/91/70/14/1333917014.db2.gz PYRKLNAOMCLZAX-QFBILLFUSA-N 2 0 333.520 2.369 10 30 EEEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001326488860 1334103142 /nfs/dbraw/zinc/10/31/42/1334103142.db2.gz APNPWXSNTACRAU-VQIMIIECSA-N 2 0 327.472 2.461 10 30 EEEERP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC001332378824 1335812983 /nfs/dbraw/zinc/81/29/83/1335812983.db2.gz DPRQFBHMSIBCII-MJGOQNOKSA-N 2 0 345.531 2.491 10 30 EEEERP Cc1ccc(C[N@@H+]2CCCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc1 ZINC001350405432 1337704612 /nfs/dbraw/zinc/70/46/12/1337704612.db2.gz PAXPCVVRGBWACK-UHFFFAOYSA-N 2 0 339.483 2.032 10 30 EEEERP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC001564848000 1342551045 /nfs/dbraw/zinc/55/10/45/1342551045.db2.gz XZBWCFXQQMZBHY-SFHVURJKSA-N 2 0 334.508 2.038 10 30 EEEERP CC[C@@H](C(=O)N(C)CCC[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001570216270 1343034168 /nfs/dbraw/zinc/03/41/68/1343034168.db2.gz XSYAHTOYOFRJRD-IBGZPJMESA-N 2 0 329.488 2.159 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001676488555 1357157402 /nfs/dbraw/zinc/15/74/02/1357157402.db2.gz QKKBEBVGVOOFSW-MRXNPFEDSA-N 2 0 349.906 2.468 10 30 EEEERP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001677364239 1357321516 /nfs/dbraw/zinc/32/15/16/1357321516.db2.gz YAXNAMVDMCXLFD-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001660466066 1354469064 /nfs/dbraw/zinc/46/90/64/1354469064.db2.gz PWKYDFGGJFZXLV-XLIONFOSSA-N 2 0 341.499 2.397 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2CCCC)CC1 ZINC001663123819 1354922987 /nfs/dbraw/zinc/92/29/87/1354922987.db2.gz LCXNWYWOZKKYGM-LJQANCHMSA-N 2 0 333.520 2.493 10 30 EEEERP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001663597413 1354996304 /nfs/dbraw/zinc/99/63/04/1354996304.db2.gz AUBSMTHDQKACSY-UXHICEINSA-N 2 0 341.499 2.062 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001666673847 1355563535 /nfs/dbraw/zinc/56/35/35/1355563535.db2.gz XKBRMGCYABKFOJ-INIZCTEOSA-N 2 0 349.906 2.374 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001667771886 1355812126 /nfs/dbraw/zinc/81/21/26/1355812126.db2.gz USHIAQXHJSHUNZ-PMACEKPBSA-N 2 0 341.499 2.253 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC001668065417 1355859858 /nfs/dbraw/zinc/85/98/58/1355859858.db2.gz MKCXIHPLVJGOGZ-ZYSHUDEJSA-N 2 0 342.487 2.273 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001668517005 1355956142 /nfs/dbraw/zinc/95/61/42/1355956142.db2.gz JXFRBQFERHAGSE-UHFFFAOYSA-N 2 0 348.516 2.432 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001668868863 1356029413 /nfs/dbraw/zinc/02/94/13/1356029413.db2.gz SWMBIBCVLFOGDU-KKHYBRAUSA-N 2 0 339.483 2.175 10 30 EEEERP C#CC[N@H+]1CCc2c(CNC(=O)CCC[NH+]3CCCC3)cccc2C1 ZINC001673079723 1356644337 /nfs/dbraw/zinc/64/43/37/1356644337.db2.gz LYSOHTAJUJPXHR-UHFFFAOYSA-N 2 0 339.483 2.170 10 30 EEEERP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001673168546 1356651238 /nfs/dbraw/zinc/65/12/38/1356651238.db2.gz PUXCHPZNRAEAAY-KRWDZBQOSA-N 2 0 331.504 2.293 10 30 EEEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001674352725 1356822993 /nfs/dbraw/zinc/82/29/93/1356822993.db2.gz HWEFXCHIBCVPOG-HDICACEKSA-N 2 0 333.520 2.443 10 30 EEEERP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001692119780 1404980874 /nfs/dbraw/zinc/98/08/74/1404980874.db2.gz KMRSRNPFTIANSS-IPMKNSEASA-N 2 0 333.520 2.348 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001699102568 1405256157 /nfs/dbraw/zinc/25/61/57/1405256157.db2.gz OBDWYFQWMVASRE-ZYSHUDEJSA-N 2 0 342.487 2.273 10 30 EEEERP CN(CCC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001699551202 1405387951 /nfs/dbraw/zinc/38/79/51/1405387951.db2.gz PZWZQVATAMMWGZ-KRWDZBQOSA-N 2 0 347.890 2.081 10 30 EEEERP C#CCN(C(=O)CCC[NH+]1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001699788172 1405485009 /nfs/dbraw/zinc/48/50/09/1405485009.db2.gz BRCRKINDRAVIMH-UHFFFAOYSA-N 2 0 331.504 2.199 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC=C)CC2(C)C)CC1 ZINC000941238725 780227489 /nfs/dbraw/zinc/22/74/89/780227489.db2.gz CBRYPWZACGNGFK-SFHVURJKSA-N 2 0 331.504 2.124 10 30 EEEERP C=C(Br)C[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001568970102 1125006826 /nfs/dbraw/zinc/00/68/26/1125006826.db2.gz SLLFVFZTDPZBGX-UUSXEQNQSA-N 2 0 344.297 2.030 10 30 EEEERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ccc(C#N)cc1F ZINC001566574618 1125754940 /nfs/dbraw/zinc/75/49/40/1125754940.db2.gz BWEVATUVZVEKDU-UHFFFAOYSA-N 2 0 346.450 2.121 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001439113774 1091758442 /nfs/dbraw/zinc/75/84/42/1091758442.db2.gz ACQYPQNKEUVWPZ-CJNGLKHVSA-N 2 0 334.489 2.088 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001439121704 1091765254 /nfs/dbraw/zinc/76/52/54/1091765254.db2.gz KTWFMLZGVRCMNW-CRAIPNDOSA-N 2 0 328.460 2.027 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001448505403 1093531651 /nfs/dbraw/zinc/53/16/51/1093531651.db2.gz ZBWKBHHAEWPKNN-SHTZXODSSA-N 2 0 325.884 2.099 10 30 EEEERP CC(C)[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001442623709 1096992706 /nfs/dbraw/zinc/99/27/06/1096992706.db2.gz YLIIWGWZRYHMKJ-IBGZPJMESA-N 2 0 342.487 2.227 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001444702353 1099558511 /nfs/dbraw/zinc/55/85/11/1099558511.db2.gz WDHCXAVKQRHDFF-KDOFPFPSSA-N 2 0 348.466 2.220 10 30 EEEERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001480166961 1099742575 /nfs/dbraw/zinc/74/25/75/1099742575.db2.gz GFWCPYAMOACSPP-IYARVYRRSA-N 2 0 328.460 2.027 10 30 EEEERP CCCC[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001448244605 1104236118 /nfs/dbraw/zinc/23/61/18/1104236118.db2.gz GKLFXDBZXLYSFM-OALUTQOASA-N 2 0 342.487 2.417 10 30 EEEERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001498161131 1107004948 /nfs/dbraw/zinc/00/49/48/1107004948.db2.gz SEUBKXPFYMJURM-WMLDXEAASA-N 2 0 335.879 2.126 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC(=C)C)CC1 ZINC001498502075 1107644055 /nfs/dbraw/zinc/64/40/55/1107644055.db2.gz FJKQZVVLIZADIU-MOPGFXCFSA-N 2 0 331.504 2.172 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCCCC)C[C@H]32)CC1 ZINC001506828401 1114898624 /nfs/dbraw/zinc/89/86/24/1114898624.db2.gz NULVCICXCRAGLD-OWZKRDHZSA-N 2 0 345.531 2.206 10 30 EEEERP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001568224672 1124369289 /nfs/dbraw/zinc/36/92/89/1124369289.db2.gz ICKZPMCLPMCPDQ-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCC[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001568253965 1124388268 /nfs/dbraw/zinc/38/82/68/1124388268.db2.gz VJEJMAWIDAJMCI-UHFFFAOYSA-N 2 0 331.504 2.200 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001568363054 1124438497 /nfs/dbraw/zinc/43/84/97/1124438497.db2.gz NUIJPBMLWUREBA-MJGOQNOKSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568643144 1124656166 /nfs/dbraw/zinc/65/61/66/1124656166.db2.gz XLYCPOQDKMJCEW-VQIMIIECSA-N 2 0 342.487 2.417 10 30 EEEERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001568646128 1124658360 /nfs/dbraw/zinc/65/83/60/1124658360.db2.gz NHVVLLPMNGYISI-CXAGYDPISA-N 2 0 334.439 2.022 10 30 EEEERP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047970431 462844373 /nfs/dbraw/zinc/84/43/73/462844373.db2.gz LMYPTMHUDFBQCF-IBGZPJMESA-N 2 0 343.471 2.106 10 30 EEEERP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594435411 468585310 /nfs/dbraw/zinc/58/53/10/468585310.db2.gz DVQVIVVECNYHKK-MSOLQXFVSA-N 2 0 328.460 2.131 10 30 EEEERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000596652790 469323178 /nfs/dbraw/zinc/32/31/78/469323178.db2.gz HWXKGWMRLIDLRR-CQSZACIVSA-N 2 0 346.450 2.339 10 30 EEEERP C[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261940452 682497543 /nfs/dbraw/zinc/49/75/43/682497543.db2.gz DLILBJZXRLYOIF-IUODEOHRSA-N 2 0 337.537 2.196 10 30 EEEERP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000303258549 686731236 /nfs/dbraw/zinc/73/12/36/686731236.db2.gz KXSFCSQUUOYOCK-GJZGRUSLSA-N 2 0 336.505 2.043 10 30 EEEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001272700463 1191863556 /nfs/dbraw/zinc/86/35/56/1191863556.db2.gz JQBZQPUSQRTKKZ-IAGOWNOFSA-N 2 0 327.472 2.319 10 30 EEEERP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001485658520 1191878548 /nfs/dbraw/zinc/87/85/48/1191878548.db2.gz VQYJDKLNKDBJTR-UFYCRDLUSA-N 2 0 345.531 2.493 10 30 EEEERP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001485739063 1191916378 /nfs/dbraw/zinc/91/63/78/1191916378.db2.gz KRNJRPXOJHBOKS-UHOSZYNNSA-N 2 0 329.488 2.392 10 30 EEEERP CC#CC[NH+]1CCC([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001279111344 1177258999 /nfs/dbraw/zinc/25/89/99/1177258999.db2.gz KKWVXSAQYICPOK-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266878898 1177691094 /nfs/dbraw/zinc/69/10/94/1177691094.db2.gz MMDVAXXZNOCYBE-QFBILLFUSA-N 2 0 337.483 2.193 10 30 EEEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001267196930 1178474196 /nfs/dbraw/zinc/47/41/96/1178474196.db2.gz ODBWNRDFMNCGAT-IEBWSBKVSA-N 2 0 333.520 2.348 10 30 EEEERP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267320016 1178749986 /nfs/dbraw/zinc/74/99/86/1178749986.db2.gz XSZDWHYSZKSGDV-HXUWFJFHSA-N 2 0 343.515 2.453 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001267496211 1179177537 /nfs/dbraw/zinc/17/75/37/1179177537.db2.gz OYPIAFUGVDPXEK-LJQANCHMSA-N 2 0 333.520 2.301 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC#Cc2ccccc2)C1 ZINC001267592764 1179584036 /nfs/dbraw/zinc/58/40/36/1179584036.db2.gz YDNCVPIUOLBBMM-HXUWFJFHSA-N 2 0 341.499 2.160 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)C[C@H](C)CC)C2)CC1 ZINC001481510344 1181599782 /nfs/dbraw/zinc/59/97/82/1181599782.db2.gz UUWIXTUEUVQMPS-MSOLQXFVSA-N 2 0 333.520 2.158 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001268138902 1181798395 /nfs/dbraw/zinc/79/83/95/1181798395.db2.gz AQAHQBNWYUBPPE-VQIMIIECSA-N 2 0 327.472 2.212 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001268292226 1182183982 /nfs/dbraw/zinc/18/39/82/1182183982.db2.gz WKXZBHFQGXYNFI-VQTJNVASSA-N 2 0 341.499 2.254 10 30 EEEERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001268397863 1182484241 /nfs/dbraw/zinc/48/42/41/1182484241.db2.gz DEDGATXPHJHGLU-KBXCAEBGSA-N 2 0 348.466 2.268 10 30 EEEERP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001481820651 1182749562 /nfs/dbraw/zinc/74/95/62/1182749562.db2.gz GWTDTIUUFVKEEF-RBUKOAKNSA-N 2 0 342.487 2.417 10 30 EEEERP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001482015833 1183134003 /nfs/dbraw/zinc/13/40/03/1183134003.db2.gz JUSUILBYGFYOTC-BZSNNMDCSA-N 2 0 337.508 2.079 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001482329870 1185411993 /nfs/dbraw/zinc/41/19/93/1185411993.db2.gz FOUWCOUJECUMHP-BBRMVZONSA-N 2 0 333.879 2.388 10 30 EEEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001271278880 1186118323 /nfs/dbraw/zinc/11/83/23/1186118323.db2.gz SYKLNNMXCIKNKE-INIZCTEOSA-N 2 0 339.443 2.025 10 30 EEEERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001482552275 1186669319 /nfs/dbraw/zinc/66/93/19/1186669319.db2.gz CMHGZSREODYAOK-QUCCMNQESA-N 2 0 341.499 2.110 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001482553141 1186701754 /nfs/dbraw/zinc/70/17/54/1186701754.db2.gz NAFQVPVZNXFREI-AABGKKOBSA-N 2 0 341.499 2.086 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482962539 1187895868 /nfs/dbraw/zinc/89/58/68/1187895868.db2.gz GCHWNJHKVPKVSR-LJQANCHMSA-N 2 0 347.478 2.202 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001482970246 1187910906 /nfs/dbraw/zinc/91/09/06/1187910906.db2.gz PXPCGTXHYKRSMR-IRXDYDNUSA-N 2 0 342.487 2.369 10 30 EEEERP C#CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001670923900 1193528350 /nfs/dbraw/zinc/52/83/50/1193528350.db2.gz REWITUBQDIVXRE-OALUTQOASA-N 2 0 333.520 2.445 10 30 EEEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001691610491 1188313331 /nfs/dbraw/zinc/31/33/31/1188313331.db2.gz YCFZIRZXQSTPED-PKOBYXMFSA-N 2 0 341.499 2.302 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001486084828 1193677293 /nfs/dbraw/zinc/67/72/93/1193677293.db2.gz OKFMYDHQWVWDSO-DOTOQJQBSA-N 2 0 339.443 2.426 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001483976446 1191138513 /nfs/dbraw/zinc/13/85/13/1191138513.db2.gz KJNAGGQQWXBJRF-UHFFFAOYSA-N 2 0 348.516 2.431 10 30 EEEERP C#CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1CC[NH+](C(C)C)CC1 ZINC001483985365 1191142401 /nfs/dbraw/zinc/14/24/01/1191142401.db2.gz UTESWKCXBPFFAJ-KRWDZBQOSA-N 2 0 325.472 2.001 10 30 EEEERP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001484771265 1191514019 /nfs/dbraw/zinc/51/40/19/1191514019.db2.gz QTIXMCIACGYWDE-RBUKOAKNSA-N 2 0 333.520 2.302 10 30 EEEERP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)O2 ZINC001484790030 1191526787 /nfs/dbraw/zinc/52/67/87/1191526787.db2.gz JLPGEABOZUTGFQ-ZWKOTPCHSA-N 2 0 349.519 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001485229757 1191698710 /nfs/dbraw/zinc/69/87/10/1191698710.db2.gz LHFIPXHSGDPCQS-LSDHHAIUSA-N 2 0 333.501 2.076 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000876840167 1199792290 /nfs/dbraw/zinc/79/22/90/1199792290.db2.gz LEZUJRNJHZBPKN-UONOGXRCSA-N 2 0 328.243 2.283 10 30 EEEERP C=CCC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883178741 1202026680 /nfs/dbraw/zinc/02/66/80/1202026680.db2.gz DAFQRBRWRHYTLP-RBUKOAKNSA-N 2 0 344.503 2.437 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC(C)([NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001274368432 1205012221 /nfs/dbraw/zinc/01/22/21/1205012221.db2.gz OAUQITOGACPQLJ-UHFFFAOYSA-N 2 0 345.462 2.100 10 30 EEEERP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)CC1 ZINC001274885233 1205196747 /nfs/dbraw/zinc/19/67/47/1205196747.db2.gz GHGZVACJXHPOTP-UHFFFAOYSA-N 2 0 333.520 2.302 10 30 EEEERP C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001275081329 1205251299 /nfs/dbraw/zinc/25/12/99/1205251299.db2.gz UQDCNLOAJQBUBH-VAMGGRTRSA-N 2 0 339.483 2.112 10 30 EEEERP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001275120464 1205262383 /nfs/dbraw/zinc/26/23/83/1205262383.db2.gz CTTWBQAPTHVFDE-WOJBJXKFSA-N 2 0 341.499 2.301 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001275129649 1205263966 /nfs/dbraw/zinc/26/39/66/1205263966.db2.gz ZWLAKQGJWCZEIH-LJQANCHMSA-N 2 0 341.499 2.350 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001275135091 1205264893 /nfs/dbraw/zinc/26/48/93/1205264893.db2.gz FYSGYPOUHFNEIE-RBUKOAKNSA-N 2 0 331.504 2.340 10 30 EEEERP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001275182994 1205276214 /nfs/dbraw/zinc/27/62/14/1205276214.db2.gz AWILKACSMXAXIG-UXHICEINSA-N 2 0 345.531 2.446 10 30 EEEERP C=CC[NH2+]CCCOC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001276176820 1205815630 /nfs/dbraw/zinc/81/56/30/1205815630.db2.gz YYILPIXTYXOTIK-IAGOWNOFSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001276318420 1215696277 /nfs/dbraw/zinc/69/62/77/1215696277.db2.gz BQPCSLTYWXMUQM-QFBILLFUSA-N 2 0 337.483 2.193 10 30 EEEERP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001491018310 1258574554 /nfs/dbraw/zinc/57/45/54/1258574554.db2.gz DJRNNYYUQVLKDV-KURKYZTESA-N 2 0 349.519 2.080 10 30 EEEERP C#CCC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001277541638 1303861878 /nfs/dbraw/zinc/86/18/78/1303861878.db2.gz ITEXVQVZMDLIDX-OALUTQOASA-N 2 0 327.472 2.331 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001263842276 1322534537 /nfs/dbraw/zinc/53/45/37/1322534537.db2.gz MOWGMQYEKNRKNS-MAEOIBBWSA-N 2 0 347.890 2.128 10 30 EEEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001263933275 1322556226 /nfs/dbraw/zinc/55/62/26/1322556226.db2.gz SXXHTBBCIMTVCX-OTWHNJEPSA-N 2 0 333.520 2.395 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001264436482 1322701778 /nfs/dbraw/zinc/70/17/78/1322701778.db2.gz BYNAHVYJIYWZDD-BHIYHBOVSA-N 2 0 327.472 2.187 10 30 EEEERP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001266088062 1323645196 /nfs/dbraw/zinc/64/51/96/1323645196.db2.gz KXNPAJTXSGXXSL-FQEVSTJZSA-N 2 0 341.499 2.333 10 30 EEEERP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3cncn3C2)C(C)(C)C1 ZINC001276593077 1324681974 /nfs/dbraw/zinc/68/19/74/1324681974.db2.gz FVWNPJHHFVMXHJ-DOTOQJQBSA-N 2 0 330.476 2.238 10 30 EEEERP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001281670087 1325387393 /nfs/dbraw/zinc/38/73/93/1325387393.db2.gz LUCCHTJYGHLWHQ-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001283666912 1326191522 /nfs/dbraw/zinc/19/15/22/1326191522.db2.gz USPYFATUNSPJPY-MRXNPFEDSA-N 2 0 349.906 2.470 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cc(F)ccc2C)CC1 ZINC001322087285 1333207262 /nfs/dbraw/zinc/20/72/62/1333207262.db2.gz GTCKDYMWRLJDFV-INIZCTEOSA-N 2 0 345.462 2.074 10 30 EEEERP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001323736524 1333527907 /nfs/dbraw/zinc/52/79/07/1333527907.db2.gz QYJIDJHDRWUMIA-UHFFFAOYSA-N 2 0 345.531 2.445 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001324224809 1333638283 /nfs/dbraw/zinc/63/82/83/1333638283.db2.gz FEMNCHODHQLAGO-IBGZPJMESA-N 2 0 327.472 2.008 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001325435608 1333885572 /nfs/dbraw/zinc/88/55/72/1333885572.db2.gz DWILAYKRMSAIQZ-PXNSSMCTSA-N 2 0 341.499 2.254 10 30 EEEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001325703045 1333943958 /nfs/dbraw/zinc/94/39/58/1333943958.db2.gz VRBZXSFYTQWTOW-UXHICEINSA-N 2 0 339.483 2.255 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001326525451 1334109651 /nfs/dbraw/zinc/10/96/51/1334109651.db2.gz NVTJAYQYYWDQDL-GUDVDZBRSA-N 2 0 333.520 2.395 10 30 EEEERP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309799 1334264258 /nfs/dbraw/zinc/26/42/58/1334264258.db2.gz YCBNNSRIJBCFAW-RBUKOAKNSA-N 2 0 345.531 2.445 10 30 EEEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001328915395 1334547296 /nfs/dbraw/zinc/54/72/96/1334547296.db2.gz LKOAVVSTQZNPIN-HFPIOELMSA-N 2 0 341.499 2.392 10 30 EEEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001331295647 1334992375 /nfs/dbraw/zinc/99/23/75/1334992375.db2.gz LPUXIJCOZCOUBO-GOSISDBHSA-N 2 0 333.520 2.489 10 30 EEEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001566740208 1342620075 /nfs/dbraw/zinc/62/00/75/1342620075.db2.gz SENMZSDOOIYPAW-IEBWSBKVSA-N 2 0 333.520 2.465 10 30 EEEERP C#CCC[NH+]1CCC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001566871975 1342643288 /nfs/dbraw/zinc/64/32/88/1342643288.db2.gz OTYGDPQMPRDRDZ-KRWDZBQOSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC#Cc1ccccc1 ZINC001567059477 1342688730 /nfs/dbraw/zinc/68/87/30/1342688730.db2.gz OJXZSLWGRBYYCG-OALUTQOASA-N 2 0 341.499 2.397 10 30 EEEERP CC#CC[NH+]1CCc2c(CNC(=O)CC[N@@H+](C)CCC)cccc2C1 ZINC001570079185 1343010034 /nfs/dbraw/zinc/01/00/34/1343010034.db2.gz OZIYTPMFCGTRGJ-UHFFFAOYSA-N 2 0 341.499 2.416 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](Cc2ccccc2)[NH2+]CC)CC1 ZINC001571529200 1343230280 /nfs/dbraw/zinc/23/02/80/1343230280.db2.gz YVNFZVBPEHMDPG-FQEVSTJZSA-N 2 0 341.499 2.059 10 30 EEEERP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001641479340 1352721675 /nfs/dbraw/zinc/72/16/75/1352721675.db2.gz YKTPYQPISOPFRI-IBGZPJMESA-N 2 0 329.488 2.473 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1OCC ZINC001656477567 1354241594 /nfs/dbraw/zinc/24/15/94/1354241594.db2.gz CKVAJIHKRDMRPV-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001656619021 1354252690 /nfs/dbraw/zinc/25/26/90/1354252690.db2.gz VCUYAYYIBJECDR-FCGDIQPGSA-N 2 0 333.520 2.347 10 30 EEEERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC#Cc1ccccc1)C1CC1 ZINC001661142963 1354597213 /nfs/dbraw/zinc/59/72/13/1354597213.db2.gz PNWWEDMDFXNAIT-VQTJNVASSA-N 2 0 339.483 2.007 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001661977031 1354731909 /nfs/dbraw/zinc/73/19/09/1354731909.db2.gz IWMBVIYYTVGGBX-QZTJIDSGSA-N 2 0 331.504 2.197 10 30 EEEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001664442013 1355164793 /nfs/dbraw/zinc/16/47/93/1355164793.db2.gz IJEGQFNVYAPPTA-KRWDZBQOSA-N 2 0 331.504 2.102 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001664859831 1355245397 /nfs/dbraw/zinc/24/53/97/1355245397.db2.gz XMHPGQBHBIIRIK-RBUKOAKNSA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001666345254 1355514744 /nfs/dbraw/zinc/51/47/44/1355514744.db2.gz YUKUCLUKJVCIRE-FQEVSTJZSA-N 2 0 345.462 2.238 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]Cc2cccc(F)c2)CC1 ZINC001666672802 1355563490 /nfs/dbraw/zinc/56/34/90/1355563490.db2.gz KAGHKTPBOLGQKE-MRXNPFEDSA-N 2 0 345.462 2.013 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C/C=C\c2ccccc2)CC1 ZINC001669750702 1356203392 /nfs/dbraw/zinc/20/33/92/1356203392.db2.gz OCEQCZZIKAWAAI-VOCYLRNQSA-N 2 0 339.483 2.139 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001674771920 1356893044 /nfs/dbraw/zinc/89/30/44/1356893044.db2.gz COUBZSHOFQFBGV-DLBZAZTESA-N 2 0 333.520 2.395 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001691962037 1404968729 /nfs/dbraw/zinc/96/87/29/1404968729.db2.gz WMEIIAFBYOKIMX-RBUKOAKNSA-N 2 0 345.531 2.445 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001698680425 1405016528 /nfs/dbraw/zinc/01/65/28/1405016528.db2.gz YPSIADCFXVQQCI-IBGZPJMESA-N 2 0 342.487 2.228 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001699383522 1405344653 /nfs/dbraw/zinc/34/46/53/1405344653.db2.gz UAUQYRMUZLYZDP-OAHLLOKOSA-N 2 0 335.879 2.128 10 30 EEEERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001437163904 1089178378 /nfs/dbraw/zinc/17/83/78/1089178378.db2.gz KUGVPWHKTVBERW-RHSMWYFYSA-N 2 0 346.450 2.166 10 30 EEEERP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445573112 1091353092 /nfs/dbraw/zinc/35/30/92/1091353092.db2.gz PYLJBVIUQZJGHP-MAUKXSAKSA-N 2 0 328.460 2.027 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001449058860 1094074765 /nfs/dbraw/zinc/07/47/65/1094074765.db2.gz NPRSYIWVJSINCJ-DOTOQJQBSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001441658357 1095624496 /nfs/dbraw/zinc/62/44/96/1095624496.db2.gz XQVNRMPAZNZDEU-HRCADAONSA-N 2 0 327.900 2.440 10 30 EEEERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001441914642 1096092121 /nfs/dbraw/zinc/09/21/21/1096092121.db2.gz LMNIODDQSLYUNL-ZDUSSCGKSA-N 2 0 334.489 2.088 10 30 EEEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001479982243 1099437706 /nfs/dbraw/zinc/43/77/06/1099437706.db2.gz VMVNAKDXEHBRHM-MSOLQXFVSA-N 2 0 331.504 2.265 10 30 EEEERP C=C(Br)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001444660721 1099499095 /nfs/dbraw/zinc/49/90/95/1099499095.db2.gz XUDGCLIFTXYITC-CYBMUJFWSA-N 2 0 346.313 2.206 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480286027 1099993181 /nfs/dbraw/zinc/99/31/81/1099993181.db2.gz NWASGINTRZKPCP-HKUYNNGSSA-N 2 0 331.504 2.245 10 30 EEEERP C=CCOCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001496404902 1100998991 /nfs/dbraw/zinc/99/89/91/1100998991.db2.gz VGELDUHOTJRCJT-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001447870833 1103483899 /nfs/dbraw/zinc/48/38/99/1103483899.db2.gz QQCILKAESUUANI-KGLIPLIRSA-N 2 0 346.450 2.164 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001494178977 1103653358 /nfs/dbraw/zinc/65/33/58/1103653358.db2.gz OMYCLQGJUZQXNX-IBGZPJMESA-N 2 0 342.487 2.179 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001495058074 1104695506 /nfs/dbraw/zinc/69/55/06/1104695506.db2.gz MQJHIHPSEOCDMP-BBRMVZONSA-N 2 0 333.879 2.436 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCC=C)C2)CC1 ZINC001480709757 1106932293 /nfs/dbraw/zinc/93/22/93/1106932293.db2.gz MUORRGFECTVZHE-OALUTQOASA-N 2 0 331.504 2.315 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001498197904 1107066385 /nfs/dbraw/zinc/06/63/85/1107066385.db2.gz ZUISGNBSPAWSNK-KSSFIOAISA-N 2 0 346.450 2.166 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001493846973 1108729986 /nfs/dbraw/zinc/72/99/86/1108729986.db2.gz MLVZTYLEGNKKAM-LSDHHAIUSA-N 2 0 327.900 2.297 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001501182003 1113231576 /nfs/dbraw/zinc/23/15/76/1113231576.db2.gz XUBWTZQKEZQUPV-FHWLQOOXSA-N 2 0 333.520 2.252 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568393373 1124463658 /nfs/dbraw/zinc/46/36/58/1124463658.db2.gz KRIMVNWVLVYSBU-APWZRJJASA-N 2 0 337.483 2.193 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001569269205 1125208327 /nfs/dbraw/zinc/20/83/27/1125208327.db2.gz RNOMZPPHNYPZEJ-QINSGFPZSA-N 2 0 346.302 2.089 10 30 EEEERP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CC1CC[NH+](C)CC1 ZINC000273218364 256277703 /nfs/dbraw/zinc/27/77/03/256277703.db2.gz MLIHWULHJKGJNO-UHFFFAOYSA-N 2 0 342.487 2.180 10 30 EEEERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000610989566 469132281 /nfs/dbraw/zinc/13/22/81/469132281.db2.gz OFXNUVOKBBVRNN-POAQFYNOSA-N 2 0 345.487 2.154 10 30 EEEERP C=CC[C@]1(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCC[NH2+]1 ZINC000662799936 472257874 /nfs/dbraw/zinc/25/78/74/472257874.db2.gz AXHJGHYWJMSOGW-OXJNMPFZSA-N 2 0 342.487 2.422 10 30 EEEERP C#CC[NH+]1CCC(Nc2cc[nH+]c3cc(OC)c(OC)cc23)CC1 ZINC000895812566 684733732 /nfs/dbraw/zinc/73/37/32/684733732.db2.gz SAJSJDHKMZGESV-UHFFFAOYSA-N 2 0 325.412 2.183 10 30 EEEERP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NCC1CCC(C(F)(F)F)CC1 ZINC000262556118 687117005 /nfs/dbraw/zinc/11/70/05/687117005.db2.gz UYMFSTVRHOMPPJ-MOKVOYLWSA-N 2 0 334.430 2.472 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001671503900 1176859760 /nfs/dbraw/zinc/85/97/60/1176859760.db2.gz GTEHTMWMCDDAOU-IPLHWJFFSA-N 2 0 331.504 2.221 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)C/C=C\Cl)C2)CC1 ZINC001267115501 1178277930 /nfs/dbraw/zinc/27/79/30/1178277930.db2.gz VJCHPLCQEILJLD-VWTAQGJOSA-N 2 0 337.895 2.007 10 30 EEEERP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001267152457 1178333128 /nfs/dbraw/zinc/33/31/28/1178333128.db2.gz MYYFKRJVWKOGHQ-QAPCUYQASA-N 2 0 333.451 2.002 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001267233352 1178560066 /nfs/dbraw/zinc/56/00/66/1178560066.db2.gz SKIMSTZBRMCWPI-FQEVSTJZSA-N 2 0 339.483 2.067 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C(F)(F)F ZINC001691446357 1178831683 /nfs/dbraw/zinc/83/16/83/1178831683.db2.gz VINNCPUNKQFMQK-KGLIPLIRSA-N 2 0 347.425 2.131 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001267576638 1179490503 /nfs/dbraw/zinc/49/05/03/1179490503.db2.gz UULCVLCVRZYOBH-IBGZPJMESA-N 2 0 341.499 2.256 10 30 EEEERP CC#CC[NH+]1CCC(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001482043697 1183219304 /nfs/dbraw/zinc/21/93/04/1183219304.db2.gz NLVZMTJWUFNYFF-UHFFFAOYSA-N 2 0 338.455 2.498 10 30 EEEERP C=CCOCCN1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001269278848 1184129863 /nfs/dbraw/zinc/12/98/63/1184129863.db2.gz QDPFQCWVZMESQN-OALUTQOASA-N 2 0 349.519 2.177 10 30 EEEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001270363896 1185048875 /nfs/dbraw/zinc/04/88/75/1185048875.db2.gz KJIJBJOPIFSYOQ-WAYWQWQTSA-N 2 0 331.504 2.365 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](C/C=C/Cl)C1 ZINC001270965579 1185776862 /nfs/dbraw/zinc/77/68/62/1185776862.db2.gz LIMNXLVQEABBGT-YKLDRSPPSA-N 2 0 337.895 2.055 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)C[NH+]1CCCC1 ZINC001271210015 1186083300 /nfs/dbraw/zinc/08/33/00/1186083300.db2.gz WSAYHZFUDJSLNH-INIZCTEOSA-N 2 0 347.890 2.224 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001482845066 1187764640 /nfs/dbraw/zinc/76/46/40/1187764640.db2.gz NWDZIZCPEVTNKZ-KSSFIOAISA-N 2 0 348.466 2.268 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC001649097865 1193513891 /nfs/dbraw/zinc/51/38/91/1193513891.db2.gz HROFEIWOYZQQQB-GJZGRUSLSA-N 2 0 349.862 2.300 10 30 EEEERP C[C@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1)[NH+]1CCCCCC1 ZINC001483271245 1190294793 /nfs/dbraw/zinc/29/47/93/1190294793.db2.gz RGHKWQUUSSERLL-RBUKOAKNSA-N 2 0 341.499 2.397 10 30 EEEERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001272474478 1190839760 /nfs/dbraw/zinc/83/97/60/1190839760.db2.gz HGYZPYLXCAUWMN-VQIMIIECSA-N 2 0 342.487 2.227 10 30 EEEERP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001483986239 1191142844 /nfs/dbraw/zinc/14/28/44/1191142844.db2.gz AQUCPFQAFNIQLE-QGZVFWFLSA-N 2 0 333.520 2.301 10 30 EEEERP C=CCC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCOCC1 ZINC001484189517 1191265244 /nfs/dbraw/zinc/26/52/44/1191265244.db2.gz OIERLUXGNKNVSI-KRWDZBQOSA-N 2 0 337.508 2.082 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001484545509 1191407826 /nfs/dbraw/zinc/40/78/26/1191407826.db2.gz QRYGMTCIMFFJIW-HNNXBMFYSA-N 2 0 348.516 2.290 10 30 EEEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001484558384 1191414797 /nfs/dbraw/zinc/41/47/97/1191414797.db2.gz FIPFLDPNJCJGPU-QFBILLFUSA-N 2 0 327.472 2.461 10 30 EEEERP CC#CC[N@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](C)C)cccc2C1 ZINC001484612092 1191437195 /nfs/dbraw/zinc/43/71/95/1191437195.db2.gz HLACHBASFGLUOY-LJQANCHMSA-N 2 0 327.472 2.024 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C[C@@H]1C ZINC001484982819 1191600952 /nfs/dbraw/zinc/60/09/52/1191600952.db2.gz NPBCCDWMEVLMOK-ICSRJNTNSA-N 2 0 341.499 2.153 10 30 EEEERP C=CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001485442808 1191786802 /nfs/dbraw/zinc/78/68/02/1191786802.db2.gz BJSXDVUCJOZGTP-HKUYNNGSSA-N 2 0 349.519 2.177 10 30 EEEERP C=CC[NH2+][C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccccc1 ZINC001486189495 1193731077 /nfs/dbraw/zinc/73/10/77/1193731077.db2.gz VYJDSRLUEXCBJU-UXHICEINSA-N 2 0 341.499 2.221 10 30 EEEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001691692957 1197510859 /nfs/dbraw/zinc/51/08/59/1197510859.db2.gz WRPQSJYIDRLJOS-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCN(C(=O)NCCC1CC[NH+](C(C)C)CC1)C1CC[NH+](C)CC1 ZINC000923630555 1197742712 /nfs/dbraw/zinc/74/27/12/1197742712.db2.gz GJRXUYASKHZPIG-UHFFFAOYSA-N 2 0 348.535 2.236 10 30 EEEERP C#C[C@H]1CC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000876444938 1199631782 /nfs/dbraw/zinc/63/17/82/1199631782.db2.gz OBKDVANFBCIPPV-IYARVYRRSA-N 2 0 336.524 2.093 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000876850352 1199795458 /nfs/dbraw/zinc/79/54/58/1199795458.db2.gz PLUCUZYCANLDQP-HNNXBMFYSA-N 2 0 345.821 2.325 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000876898236 1199811417 /nfs/dbraw/zinc/81/14/17/1199811417.db2.gz PWOFRVOKBGLXMJ-CZUORRHYSA-N 2 0 336.867 2.193 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001275459634 1205370629 /nfs/dbraw/zinc/37/06/29/1205370629.db2.gz HXPLOXAZRIMPEQ-MSOLQXFVSA-N 2 0 341.499 2.395 10 30 EEEERP C[C@@H](CN(C)CC#Cc1ccc(F)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001275574185 1205423237 /nfs/dbraw/zinc/42/32/37/1205423237.db2.gz PURIWHBYDAWXIB-INIZCTEOSA-N 2 0 345.462 2.098 10 30 EEEERP C=C(C)CC[NH2+]CCCOC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001276170650 1205812325 /nfs/dbraw/zinc/81/23/25/1205812325.db2.gz KLXZMUBGEFQDGB-UHFFFAOYSA-N 2 0 349.519 2.036 10 30 EEEERP C[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC001490255434 1291077631 /nfs/dbraw/zinc/07/76/31/1291077631.db2.gz CLMIULSXKYLZKI-UHFFFAOYSA-N 2 0 342.487 2.228 10 30 EEEERP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001490440493 1291310526 /nfs/dbraw/zinc/31/05/26/1291310526.db2.gz LILCHQKEAACYKR-HKUYNNGSSA-N 2 0 349.519 2.177 10 30 EEEERP C[NH+](C)CCC[C@H]1CN(CCCOc2ccc(C#N)cc2)CCO1 ZINC000852760695 1292189831 /nfs/dbraw/zinc/18/98/31/1292189831.db2.gz LUMOCMNUYWVZKJ-IBGZPJMESA-N 2 0 331.460 2.370 10 30 EEEERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852863862 1292219415 /nfs/dbraw/zinc/21/94/15/1292219415.db2.gz SNLXQKYARCXTNU-IEBWSBKVSA-N 2 0 331.504 2.102 10 30 EEEERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852870821 1292222878 /nfs/dbraw/zinc/22/28/78/1292222878.db2.gz GSMKQRHEQFGMII-XLIONFOSSA-N 2 0 339.483 2.016 10 30 EEEERP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOCCC#N)C2)ccn1 ZINC000856604804 1293579092 /nfs/dbraw/zinc/57/90/92/1293579092.db2.gz RJTNDIIUCUPCCE-IBGZPJMESA-N 2 0 346.475 2.305 10 30 EEEERP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001278184067 1306208856 /nfs/dbraw/zinc/20/88/56/1306208856.db2.gz GWZPWCFAAVGAEF-IRXDYDNUSA-N 2 0 337.483 2.003 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC001278283602 1308960026 /nfs/dbraw/zinc/96/00/26/1308960026.db2.gz WNUDVODEAHCCMC-FQEVSTJZSA-N 2 0 345.531 2.396 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001278434721 1310254746 /nfs/dbraw/zinc/25/47/46/1310254746.db2.gz UXVVLJPQNBUZIY-VQIMIIECSA-N 2 0 337.508 2.033 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1CC ZINC001278968917 1318871456 /nfs/dbraw/zinc/87/14/56/1318871456.db2.gz BLCZCYFUCNQEMK-FQEVSTJZSA-N 2 0 341.499 2.361 10 30 EEEERP C#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)[C@@H]21 ZINC001264586118 1322740066 /nfs/dbraw/zinc/74/00/66/1322740066.db2.gz LLGLLECBTQUGKY-KBAYOESNSA-N 2 0 333.520 2.203 10 30 EEEERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1CC)[NH+](C)C ZINC001264623972 1322752857 /nfs/dbraw/zinc/75/28/57/1322752857.db2.gz WEZQHRFVHBZLAA-XUVXKRRUSA-N 2 0 341.499 2.347 10 30 EEEERP CC[C@@H](C(=O)NCCC[N@H+](CC)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001265143124 1322945255 /nfs/dbraw/zinc/94/52/55/1322945255.db2.gz XYVJZJYELBWDCA-IBGZPJMESA-N 2 0 347.478 2.346 10 30 EEEERP C[N@H+](CCCNC(=O)CC[NH+]1CCCCC1)Cc1ccccc1C#N ZINC001265978278 1323538492 /nfs/dbraw/zinc/53/84/92/1323538492.db2.gz HHTDLRWYAPLCMG-UHFFFAOYSA-N 2 0 342.487 2.372 10 30 EEEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001281031344 1324729959 /nfs/dbraw/zinc/72/99/59/1324729959.db2.gz PDXJOEBGYZRRFO-ZWKOTPCHSA-N 2 0 331.504 2.387 10 30 EEEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001316664991 1330109625 /nfs/dbraw/zinc/10/96/25/1330109625.db2.gz RKPNXFZQDXWLIM-PKOBYXMFSA-N 2 0 331.504 2.006 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001491682532 1330204475 /nfs/dbraw/zinc/20/44/75/1330204475.db2.gz MRVGVQSEFXEAQR-BBRMVZONSA-N 2 0 334.489 2.088 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2CC(=C)C)CC1 ZINC001492178950 1331057775 /nfs/dbraw/zinc/05/77/75/1331057775.db2.gz SQIYORTVCZDLDZ-IBGZPJMESA-N 2 0 331.504 2.269 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001316683284 1331320062 /nfs/dbraw/zinc/32/00/62/1331320062.db2.gz QUYMWTPDIUQZRT-ZBFHGGJFSA-N 2 0 339.911 2.442 10 30 EEEERP C#CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001316686887 1331331105 /nfs/dbraw/zinc/33/11/05/1331331105.db2.gz SEAFRLFOEXFBSR-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001316727810 1331864770 /nfs/dbraw/zinc/86/47/70/1331864770.db2.gz OUZFPXARJYZQGI-UONOGXRCSA-N 2 0 335.414 2.131 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001316876949 1331945485 /nfs/dbraw/zinc/94/54/85/1331945485.db2.gz DBZRDQMJFZVVJN-HKUYNNGSSA-N 2 0 333.520 2.489 10 30 EEEERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001317280111 1332163666 /nfs/dbraw/zinc/16/36/66/1332163666.db2.gz PESGTNRHCUFRDF-MAUKXSAKSA-N 2 0 349.906 2.372 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001317355503 1332192200 /nfs/dbraw/zinc/19/22/00/1332192200.db2.gz CYWJFMSZTDKPLZ-IRXDYDNUSA-N 2 0 337.508 2.080 10 30 EEEERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001318603237 1332566334 /nfs/dbraw/zinc/56/63/34/1332566334.db2.gz OGUVTBZURNEXEU-SJLPKXTDSA-N 2 0 347.890 2.128 10 30 EEEERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001319859846 1332786113 /nfs/dbraw/zinc/78/61/13/1332786113.db2.gz CBQNASRFIKSKNB-UYAOXDASSA-N 2 0 341.499 2.207 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001320445142 1332884742 /nfs/dbraw/zinc/88/47/42/1332884742.db2.gz FSPLAVAOOOGDPG-INIZCTEOSA-N 2 0 345.462 2.146 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)CC[NH+]1CCCCC1 ZINC001320645177 1332928094 /nfs/dbraw/zinc/92/80/94/1332928094.db2.gz QFUINKPLBGNDRI-QGZVFWFLSA-N 2 0 342.487 2.419 10 30 EEEERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001323098430 1333385227 /nfs/dbraw/zinc/38/52/27/1333385227.db2.gz CKYVLMUBUDZVIA-WOJBJXKFSA-N 2 0 341.499 2.109 10 30 EEEERP C#CCC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001323722197 1333525016 /nfs/dbraw/zinc/52/50/16/1333525016.db2.gz MUAUJHGBBHJDSN-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001327940507 1334367121 /nfs/dbraw/zinc/36/71/21/1334367121.db2.gz NRXQSMSYIHWRQX-QFBILLFUSA-N 2 0 342.487 2.227 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC#Cc1ccccc1 ZINC001328795795 1334522770 /nfs/dbraw/zinc/52/27/70/1334522770.db2.gz FCWMQWJXGBFDSL-FQEVSTJZSA-N 2 0 341.499 2.301 10 30 EEEERP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CCCC[NH+](C)C ZINC001332044872 1335712618 /nfs/dbraw/zinc/71/26/18/1335712618.db2.gz CUJSLJZIPMHCHL-CABCVRRESA-N 2 0 348.516 2.431 10 30 EEEERP CC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC001332378822 1335813238 /nfs/dbraw/zinc/81/32/38/1335813238.db2.gz DPRQFBHMSIBCII-HKUYNNGSSA-N 2 0 345.531 2.491 10 30 EEEERP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001566879545 1342646919 /nfs/dbraw/zinc/64/69/19/1342646919.db2.gz OPZQFFILMOUZAE-PKOBYXMFSA-N 2 0 327.472 2.141 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)C[C@H](F)CC)C2)CC1 ZINC001567202565 1342711619 /nfs/dbraw/zinc/71/16/19/1342711619.db2.gz IFYQIMYGRSPZBM-MSOLQXFVSA-N 2 0 337.483 2.003 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001569528757 1342893246 /nfs/dbraw/zinc/89/32/46/1342893246.db2.gz YHPQVXIFQDKJBF-APWZRJJASA-N 2 0 327.472 2.354 10 30 EEEERP CC#CC[N@@H+]1CCc2c(CNC(=O)CCCC[NH+](C)C)cccc2C1 ZINC001570079071 1343010236 /nfs/dbraw/zinc/01/02/36/1343010236.db2.gz KDTPOMMIESQDGP-UHFFFAOYSA-N 2 0 341.499 2.416 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001570220926 1343035717 /nfs/dbraw/zinc/03/57/17/1343035717.db2.gz YGUSOVXVMRKPTE-RTBURBONSA-N 2 0 345.531 2.302 10 30 EEEERP C=CCOCC[NH2+]C1(C)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001570387921 1343063252 /nfs/dbraw/zinc/06/32/52/1343063252.db2.gz UQWWPQNVJDXWTH-CALCHBBNSA-N 2 0 337.508 2.033 10 30 EEEERP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001571064284 1343159307 /nfs/dbraw/zinc/15/93/07/1343159307.db2.gz OFEWRDXESCRSBZ-YSIASYRMSA-N 2 0 333.520 2.301 10 30 EEEERP CC(C)[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1 ZINC001571352354 1343194648 /nfs/dbraw/zinc/19/46/48/1343194648.db2.gz IZUJATJCWNMUOK-HXUWFJFHSA-N 2 0 341.499 2.254 10 30 EEEERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001676973899 1357252810 /nfs/dbraw/zinc/25/28/10/1357252810.db2.gz CHXFTMZPYKYJTR-PMACEKPBSA-N 2 0 339.483 2.008 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCCC)C2)CC1 ZINC001676974658 1357253373 /nfs/dbraw/zinc/25/33/73/1357253373.db2.gz LLBDUBQEWCTUEI-PKOBYXMFSA-N 2 0 333.520 2.396 10 30 EEEERP C[NH+](C)CCC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001663103645 1354914865 /nfs/dbraw/zinc/91/48/65/1354914865.db2.gz CZECTYQIWXJPDS-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001664241854 1355120302 /nfs/dbraw/zinc/12/03/02/1355120302.db2.gz XCDPWRDIGAXHBV-RHSMWYFYSA-N 2 0 346.500 2.185 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001666218881 1355486705 /nfs/dbraw/zinc/48/67/05/1355486705.db2.gz GFNHWQRQLIJGHF-OALUTQOASA-N 2 0 331.504 2.245 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001667750558 1355805461 /nfs/dbraw/zinc/80/54/61/1355805461.db2.gz CWRBEELJLBWVGO-WOJBJXKFSA-N 2 0 341.499 2.059 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001668059191 1355858066 /nfs/dbraw/zinc/85/80/66/1355858066.db2.gz BSURSCDBZAHGLE-APWZRJJASA-N 2 0 342.487 2.415 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC001668065416 1355860354 /nfs/dbraw/zinc/86/03/54/1355860354.db2.gz MKCXIHPLVJGOGZ-AYOQOUSVSA-N 2 0 342.487 2.273 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001671337285 1356329789 /nfs/dbraw/zinc/32/97/89/1356329789.db2.gz FLZFXSFEMAHSNN-RBUKOAKNSA-N 2 0 331.504 2.387 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC001699258783 1405299791 /nfs/dbraw/zinc/29/97/91/1405299791.db2.gz FJIJWHNMTAXETO-WFRZBGSESA-N 2 0 340.471 2.051 10 30 EEEERP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000939147479 775691004 /nfs/dbraw/zinc/69/10/04/775691004.db2.gz OMCKKNYNNLXAQM-APWZRJJASA-N 2 0 329.488 2.417 10 30 EEEERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3)cn2)CC1 ZINC000069708097 777550760 /nfs/dbraw/zinc/55/07/60/777550760.db2.gz VMAKZLDFAXRHDI-UHFFFAOYSA-N 2 0 335.455 2.385 10 30 EEEERP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940852981 779436883 /nfs/dbraw/zinc/43/68/83/779436883.db2.gz ILDOHCJNIMLKGA-SFHVURJKSA-N 2 0 338.455 2.496 10 30 EEEERP C[N@@H+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001566482135 1125644227 /nfs/dbraw/zinc/64/42/27/1125644227.db2.gz CNAJIBCQDVCKAZ-IBGZPJMESA-N 2 0 345.462 2.100 10 30 EEEERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ccc(C#N)c(F)c1 ZINC001566575198 1125756277 /nfs/dbraw/zinc/75/62/77/1125756277.db2.gz YPUPYLAYPVMJAE-UHFFFAOYSA-N 2 0 346.450 2.121 10 30 EEEERP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001436421800 1087785198 /nfs/dbraw/zinc/78/51/98/1087785198.db2.gz JNTGTRBCHSENBI-VBQJREDUSA-N 2 0 348.516 2.334 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001479639821 1098668365 /nfs/dbraw/zinc/66/83/65/1098668365.db2.gz ONZNLWDPUKSXFU-DLBZAZTESA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CC[C@H](C)F)CC1 ZINC001480368487 1100144597 /nfs/dbraw/zinc/14/45/97/1100144597.db2.gz YFUOOYJPNADTFX-WMZOPIPTSA-N 2 0 337.483 2.050 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001495389102 1101108432 /nfs/dbraw/zinc/10/84/32/1101108432.db2.gz BVBXYWDWJZNXLZ-MOPGFXCFSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001496785419 1101463995 /nfs/dbraw/zinc/46/39/95/1101463995.db2.gz IYVHXAIOPNUVJT-MOPGFXCFSA-N 2 0 329.488 2.298 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497257995 1102207193 /nfs/dbraw/zinc/20/71/93/1102207193.db2.gz ZTVPVIWECRMUJR-AWEZNQCLSA-N 2 0 346.450 2.024 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC001498197696 1107064305 /nfs/dbraw/zinc/06/43/05/1107064305.db2.gz UUXQRUFOEWJFAD-KBXCAEBGSA-N 2 0 346.450 2.166 10 30 EEEERP C#CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC2CC2)CC1 ZINC001500039765 1112588620 /nfs/dbraw/zinc/58/86/20/1112588620.db2.gz WSYKHIKKFCPXHW-SFHVURJKSA-N 2 0 331.504 2.197 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCOCC1 ZINC001500573557 1112950242 /nfs/dbraw/zinc/95/02/42/1112950242.db2.gz FIKZNQKBAKOMQJ-ROUUACIJSA-N 2 0 349.519 2.225 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CCCC=C)C2)CC1 ZINC001501091741 1113196060 /nfs/dbraw/zinc/19/60/60/1113196060.db2.gz QAWLBOPYWFIDTR-MJGOQNOKSA-N 2 0 331.504 2.124 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CCC(=C)C)C2)CC1 ZINC001501093211 1113196545 /nfs/dbraw/zinc/19/65/45/1113196545.db2.gz XGSYKUQVNLNYTM-IEBWSBKVSA-N 2 0 331.504 2.124 10 30 EEEERP C[NH+](C)CCCC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501612503 1113399021 /nfs/dbraw/zinc/39/90/21/1113399021.db2.gz RTYBZGGJIMNIBJ-IBGZPJMESA-N 2 0 342.487 2.228 10 30 EEEERP C=CCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)O2 ZINC001502443076 1113686149 /nfs/dbraw/zinc/68/61/49/1113686149.db2.gz KPEXFYYQQJEUDG-SFHVURJKSA-N 2 0 349.519 2.178 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001502985906 1113867139 /nfs/dbraw/zinc/86/71/39/1113867139.db2.gz IQLMPBYKRDCFFQ-SJORKVTESA-N 2 0 339.524 2.136 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001507426055 1115262462 /nfs/dbraw/zinc/26/24/62/1115262462.db2.gz DZHJFPZPYZLMPA-QFBILLFUSA-N 2 0 327.472 2.260 10 30 EEEERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567989936 1124218505 /nfs/dbraw/zinc/21/85/05/1124218505.db2.gz XCOGDOGOAISYMK-SFHVURJKSA-N 2 0 347.890 2.272 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568279100 1124401003 /nfs/dbraw/zinc/40/10/03/1124401003.db2.gz IWGIIWASYBKMDE-AZUAARDMSA-N 2 0 341.499 2.349 10 30 EEEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568329413 1124422119 /nfs/dbraw/zinc/42/21/19/1124422119.db2.gz XPWGXDZDXBEPFE-QZTJIDSGSA-N 2 0 333.520 2.395 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001568539736 1124600872 /nfs/dbraw/zinc/60/08/72/1124600872.db2.gz FMRPRCKUAFOWDG-WOJBJXKFSA-N 2 0 341.499 2.254 10 30 EEEERP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c(C#N)c(C)n1 ZINC000301810264 267348734 /nfs/dbraw/zinc/34/87/34/267348734.db2.gz ZBAADZXYKOCJFC-UHFFFAOYSA-N 2 0 336.443 2.329 10 30 EEEERP C=CC[C@H](CO)C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000341272324 465086418 /nfs/dbraw/zinc/08/64/18/465086418.db2.gz NVEKUQMUWSGINN-SFHVURJKSA-N 2 0 331.504 2.493 10 30 EEEERP C=CCCCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000368408774 466626899 /nfs/dbraw/zinc/62/68/99/466626899.db2.gz FHOULGNFNPCNEZ-JWTNVVGKSA-N 2 0 334.508 2.295 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000594439355 468587675 /nfs/dbraw/zinc/58/76/75/468587675.db2.gz UTWPKHBFSWEBPM-NVXWUHKLSA-N 2 0 348.516 2.488 10 30 EEEERP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600714747 468630167 /nfs/dbraw/zinc/63/01/67/468630167.db2.gz CLPMBHPCNWQBDW-SFHVURJKSA-N 2 0 337.508 2.159 10 30 EEEERP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000600721947 468635263 /nfs/dbraw/zinc/63/52/63/468635263.db2.gz OCFKAVIFAYIATB-MOPGFXCFSA-N 2 0 327.472 2.195 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602574569 469367398 /nfs/dbraw/zinc/36/73/98/469367398.db2.gz BNTQLUAGQDRSEG-MSOLQXFVSA-N 2 0 328.460 2.036 10 30 EEEERP C=CC[C@]1(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCC[NH2+]1 ZINC000662819808 472265882 /nfs/dbraw/zinc/26/58/82/472265882.db2.gz OWTPDRQYEDCDGI-QKNQBKEWSA-N 2 0 339.483 2.418 10 30 EEEERP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nccn3C2)C(C)(C)C1 ZINC001485570984 1191840113 /nfs/dbraw/zinc/84/01/13/1191840113.db2.gz XSWFRKMOIUGVGY-JKSUJKDBSA-N 2 0 330.476 2.238 10 30 EEEERP C=C(Br)CN1C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001485579555 1191847036 /nfs/dbraw/zinc/84/70/36/1191847036.db2.gz PQGCQICSVDJUMW-CYBMUJFWSA-N 2 0 346.313 2.063 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001671503898 1176859822 /nfs/dbraw/zinc/85/98/22/1176859822.db2.gz GTEHTMWMCDDAOU-DKFQHHCZSA-N 2 0 331.504 2.221 10 30 EEEERP C#CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CC2CC2)CC1 ZINC001671508492 1176866137 /nfs/dbraw/zinc/86/61/37/1176866137.db2.gz ZYBJNTPQJQSEBC-IRXDYDNUSA-N 2 0 331.504 2.195 10 30 EEEERP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001481121114 1179806962 /nfs/dbraw/zinc/80/69/62/1179806962.db2.gz TXJOVCACQFTNDR-HXUWFJFHSA-N 2 0 341.499 2.208 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001268284066 1182156981 /nfs/dbraw/zinc/15/69/81/1182156981.db2.gz MTQIPIPLCINZOW-QUCCMNQESA-N 2 0 341.499 2.302 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001268397260 1182473886 /nfs/dbraw/zinc/47/38/86/1182473886.db2.gz OPEKPXWCKANDPA-AWEZNQCLSA-N 2 0 346.450 2.024 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268439741 1182614921 /nfs/dbraw/zinc/61/49/21/1182614921.db2.gz UHCLPHZHQPDARD-GOSISDBHSA-N 2 0 347.890 2.224 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001268542094 1183213260 /nfs/dbraw/zinc/21/32/60/1183213260.db2.gz OSWJHPCHILGYID-REMYHPOOSA-N 2 0 346.500 2.255 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001482171739 1183497960 /nfs/dbraw/zinc/49/79/60/1183497960.db2.gz HOFPQEUYUBYWCK-QZTJIDSGSA-N 2 0 341.499 2.435 10 30 EEEERP CC[C@@H](C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001268852199 1183766623 /nfs/dbraw/zinc/76/66/23/1183766623.db2.gz FUPQNCJUCGVIOD-SFHVURJKSA-N 2 0 349.906 2.470 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001270292964 1184992732 /nfs/dbraw/zinc/99/27/32/1184992732.db2.gz DHHRRYRBODXKBM-RTBURBONSA-N 2 0 327.472 2.283 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001270331641 1185024369 /nfs/dbraw/zinc/02/43/69/1185024369.db2.gz KMKUMZZKJCFXMY-MJGOQNOKSA-N 2 0 333.520 2.443 10 30 EEEERP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC001270812017 1185412162 /nfs/dbraw/zinc/41/21/62/1185412162.db2.gz JCOXQWMWISTVJC-UHFFFAOYSA-N 2 0 341.499 2.399 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001271417867 1186203946 /nfs/dbraw/zinc/20/39/46/1186203946.db2.gz TVKLZVVLBAECKR-XLIONFOSSA-N 2 0 341.499 2.254 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001271424348 1186209563 /nfs/dbraw/zinc/20/95/63/1186209563.db2.gz CZLXSAXCBVOMDG-ICSRJNTNSA-N 2 0 341.499 2.011 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001271534832 1186295059 /nfs/dbraw/zinc/29/50/59/1186295059.db2.gz OILVHVRRWWCOCQ-IAGOWNOFSA-N 2 0 339.911 2.442 10 30 EEEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001272494358 1190850476 /nfs/dbraw/zinc/85/04/76/1190850476.db2.gz QAWBMNHCDQPMFA-MRXNPFEDSA-N 2 0 339.443 2.285 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CCCCC)C2)CC1 ZINC001484359209 1191315443 /nfs/dbraw/zinc/31/54/43/1191315443.db2.gz SVHCAHHXARUXKZ-PKOBYXMFSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001484462092 1191366361 /nfs/dbraw/zinc/36/63/61/1191366361.db2.gz BELGZZIQBAUBSP-OALUTQOASA-N 2 0 331.504 2.341 10 30 EEEERP C=CCC[NH+]1CCC2(CC1)CN(C(=O)CCC[NH+]1CCCC1)CCO2 ZINC001485007692 1191613253 /nfs/dbraw/zinc/61/32/53/1191613253.db2.gz JQHCMDRFPXHIID-UHFFFAOYSA-N 2 0 349.519 2.132 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001486253166 1193780473 /nfs/dbraw/zinc/78/04/73/1193780473.db2.gz KMELZECLDUFNSW-HUUCEWRRSA-N 2 0 347.425 2.275 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC/C=C/CCC)C1 ZINC001486467222 1193981855 /nfs/dbraw/zinc/98/18/55/1193981855.db2.gz QISGEPJHVGJTHO-PRUDCKRUSA-N 2 0 331.504 2.409 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000876782944 1199771684 /nfs/dbraw/zinc/77/16/84/1199771684.db2.gz XAOQXPICEZTGBN-INIZCTEOSA-N 2 0 336.867 2.237 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001275135090 1205265072 /nfs/dbraw/zinc/26/50/72/1205265072.db2.gz FYSGYPOUHFNEIE-OALUTQOASA-N 2 0 331.504 2.340 10 30 EEEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001275676174 1205478756 /nfs/dbraw/zinc/47/87/56/1205478756.db2.gz AFIIQWBUMJLRDI-GOSISDBHSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001276318418 1215696222 /nfs/dbraw/zinc/69/62/22/1215696222.db2.gz BQPCSLTYWXMUQM-LPHOPBHVSA-N 2 0 337.483 2.193 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001491022964 1258581169 /nfs/dbraw/zinc/58/11/69/1258581169.db2.gz KUHHPSMIJFMOLV-ZCNNSNEGSA-N 2 0 339.483 2.149 10 30 EEEERP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001489001128 1290324470 /nfs/dbraw/zinc/32/44/70/1290324470.db2.gz OTNJDOVHNKXPMH-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000852865395 1292219468 /nfs/dbraw/zinc/21/94/68/1292219468.db2.gz BJSBAUZKGCLOCJ-LJQANCHMSA-N 2 0 331.504 2.104 10 30 EEEERP C#CCC[N@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001276869404 1299997541 /nfs/dbraw/zinc/99/75/41/1299997541.db2.gz JVDNFUYFHFCPMA-UHFFFAOYSA-N 2 0 345.531 2.446 10 30 EEEERP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001277280149 1302157017 /nfs/dbraw/zinc/15/70/17/1302157017.db2.gz NMBXXBBTQPTTBC-GOSISDBHSA-N 2 0 341.499 2.254 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001277357043 1302623801 /nfs/dbraw/zinc/62/38/01/1302623801.db2.gz YQJXKHYZPSZYON-MRXNPFEDSA-N 2 0 328.460 2.029 10 30 EEEERP C#CCC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001277541644 1303861692 /nfs/dbraw/zinc/86/16/92/1303861692.db2.gz ITEXVQVZMDLIDX-RTBURBONSA-N 2 0 327.472 2.331 10 30 EEEERP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001277913216 1305068049 /nfs/dbraw/zinc/06/80/49/1305068049.db2.gz CVDSCSDGVHUANP-INIZCTEOSA-N 2 0 349.906 2.470 10 30 EEEERP C#CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCC(=C)C)CC1 ZINC001278151768 1306113197 /nfs/dbraw/zinc/11/31/97/1306113197.db2.gz WZJCXYVJXUQGSW-FQEVSTJZSA-N 2 0 343.515 2.221 10 30 EEEERP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001279079002 1319191238 /nfs/dbraw/zinc/19/12/38/1319191238.db2.gz CDEIWFLWPKJWAF-NVXWUHKLSA-N 2 0 327.488 2.459 10 30 EEEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001263848327 1322536395 /nfs/dbraw/zinc/53/63/95/1322536395.db2.gz PGUKWVCVSWCADU-NZSAHSFTSA-N 2 0 327.472 2.187 10 30 EEEERP C#CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)[C@H]21 ZINC001264586644 1322740916 /nfs/dbraw/zinc/74/09/16/1322740916.db2.gz SDKPWGLVTWZGJH-QRQLOZEOSA-N 2 0 333.520 2.347 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001265283529 1323034884 /nfs/dbraw/zinc/03/48/84/1323034884.db2.gz GAXKJFLIBZZVGO-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001265509227 1323189517 /nfs/dbraw/zinc/18/95/17/1323189517.db2.gz WPXXEULVRMSZNN-IYARVYRRSA-N 2 0 347.890 2.269 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265596573 1323252941 /nfs/dbraw/zinc/25/29/41/1323252941.db2.gz GDOLEQLEWAXXNO-OALUTQOASA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001265648799 1323295262 /nfs/dbraw/zinc/29/52/62/1323295262.db2.gz GXDFJBGDPRMCFS-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265790675 1323382376 /nfs/dbraw/zinc/38/23/76/1323382376.db2.gz QHXYYRJXBLUGTK-CRAIPNDOSA-N 2 0 347.890 2.270 10 30 EEEERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266155749 1323725040 /nfs/dbraw/zinc/72/50/40/1323725040.db2.gz QHWUZWPMAUOKSQ-LPHOPBHVSA-N 2 0 345.462 2.146 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CCC(=C)C)CC1 ZINC001281966641 1325540954 /nfs/dbraw/zinc/54/09/54/1325540954.db2.gz AOZNVYBOHAZSKI-IBGZPJMESA-N 2 0 331.504 2.221 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001282242148 1325666475 /nfs/dbraw/zinc/66/64/75/1325666475.db2.gz QKWULIGGDLVQLJ-JKSUJKDBSA-N 2 0 333.520 2.251 10 30 EEEERP C=CCC[NH2+][C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1(C)C ZINC001284309211 1326498762 /nfs/dbraw/zinc/49/87/62/1326498762.db2.gz HELXJXUIXHYKLH-KRWDZBQOSA-N 2 0 339.443 2.284 10 30 EEEERP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001491585400 1330173969 /nfs/dbraw/zinc/17/39/69/1330173969.db2.gz NXKCOGZAXGGCSY-UHOSZYNNSA-N 2 0 329.488 2.392 10 30 EEEERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001492043947 1330417157 /nfs/dbraw/zinc/41/71/57/1330417157.db2.gz RHAHVEYGZZNFQP-CRAIPNDOSA-N 2 0 328.460 2.027 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001492031325 1330455983 /nfs/dbraw/zinc/45/59/83/1330455983.db2.gz KHUKGBWSEIYQAH-ICSRJNTNSA-N 2 0 341.499 2.397 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001316727808 1331864479 /nfs/dbraw/zinc/86/44/79/1331864479.db2.gz OUZFPXARJYZQGI-KBPBESRZSA-N 2 0 335.414 2.131 10 30 EEEERP C[C@@H](CCNC(=O)Cc1c[nH]cn1)[NH2+]CC#Cc1ccccc1Cl ZINC001317408070 1332217159 /nfs/dbraw/zinc/21/71/59/1332217159.db2.gz HRGNKYIHTLFTGZ-AWEZNQCLSA-N 2 0 344.846 2.142 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC/C=C\CC)CC1 ZINC001317514110 1332276434 /nfs/dbraw/zinc/27/64/34/1332276434.db2.gz UCMSHMFOBPZYBU-VOFKWLDRSA-N 2 0 331.504 2.269 10 30 EEEERP C#CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001319888931 1332793063 /nfs/dbraw/zinc/79/30/63/1332793063.db2.gz DPFWDDPAQHQKEC-IBGZPJMESA-N 2 0 333.520 2.445 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001321720128 1333148199 /nfs/dbraw/zinc/14/81/99/1333148199.db2.gz KFRSQQUFFJHRLG-OAHLLOKOSA-N 2 0 335.879 2.128 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001324075056 1333603033 /nfs/dbraw/zinc/60/30/33/1333603033.db2.gz PFPOORSTUXTCMN-MSOLQXFVSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001325054769 1333819945 /nfs/dbraw/zinc/81/99/45/1333819945.db2.gz PPRQXSRTXUILHC-HZPDHXFCSA-N 2 0 343.462 2.368 10 30 EEEERP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001328749403 1334513826 /nfs/dbraw/zinc/51/38/26/1334513826.db2.gz LYWFHJRFFNVBEG-QGZVFWFLSA-N 2 0 339.443 2.380 10 30 EEEERP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001330444400 1334845086 /nfs/dbraw/zinc/84/50/86/1334845086.db2.gz FGVZZPVLGHTLQP-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001332149330 1335744531 /nfs/dbraw/zinc/74/45/31/1335744531.db2.gz UGLTWZFYBOAOLM-GUDVDZBRSA-N 2 0 331.504 2.102 10 30 EEEERP C=CCC[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001566724336 1342614555 /nfs/dbraw/zinc/61/45/55/1342614555.db2.gz HBQNGIXQRMGDCT-YJBOKZPZSA-N 2 0 325.472 2.259 10 30 EEEERP CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001569847361 1342957483 /nfs/dbraw/zinc/95/74/83/1342957483.db2.gz QDTJNKJGZDWYOP-XLIONFOSSA-N 2 0 341.499 2.112 10 30 EEEERP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001571512853 1343224864 /nfs/dbraw/zinc/22/48/64/1343224864.db2.gz LJFPHITVKQWULT-GBESFXJTSA-N 2 0 331.504 2.102 10 30 EEEERP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001660371727 1354451169 /nfs/dbraw/zinc/45/11/69/1354451169.db2.gz FDFZIDVDMJLADI-GOSISDBHSA-N 2 0 330.476 2.083 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001661213141 1354608033 /nfs/dbraw/zinc/60/80/33/1354608033.db2.gz LQVRQPIGBWWQBR-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001661220947 1354610778 /nfs/dbraw/zinc/61/07/78/1354610778.db2.gz LSALYLOOAQLHGO-OALUTQOASA-N 2 0 333.520 2.302 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001664835765 1355239845 /nfs/dbraw/zinc/23/98/45/1355239845.db2.gz LZMMSSFKWMFNQY-QFBILLFUSA-N 2 0 337.483 2.003 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCCC=C)CC1 ZINC001672543374 1356551643 /nfs/dbraw/zinc/55/16/43/1356551643.db2.gz IIPQVRAQXRSSFN-WOJBJXKFSA-N 2 0 343.515 2.363 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001674458798 1356838312 /nfs/dbraw/zinc/83/83/12/1356838312.db2.gz YBESXPIEPYHXRV-MRXNPFEDSA-N 2 0 333.501 2.369 10 30 EEEERP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001681598367 1358038557 /nfs/dbraw/zinc/03/85/57/1358038557.db2.gz VCITYNDNSPNNAY-LJQANCHMSA-N 2 0 348.535 2.285 10 30 EEEERP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)O2 ZINC001687937696 1358684711 /nfs/dbraw/zinc/68/47/11/1358684711.db2.gz GBVSYRLSGAARAA-QZTJIDSGSA-N 2 0 349.519 2.175 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(C)C)CC2(C)C)CC1 ZINC000941236856 780223209 /nfs/dbraw/zinc/22/32/09/780223209.db2.gz BTHQSFNAPUZJRV-SFHVURJKSA-N 2 0 333.520 2.204 10 30 EEEERP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923385758 789481424 /nfs/dbraw/zinc/48/14/24/789481424.db2.gz HPHXWLBTAJIDMQ-OALUTQOASA-N 2 0 343.471 2.010 10 30 EEEERP N#Cc1cc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000921634898 790199251 /nfs/dbraw/zinc/19/92/51/790199251.db2.gz XPWZKVYGDCFGRB-UHFFFAOYSA-N 2 0 341.484 2.317 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000917577974 798285791 /nfs/dbraw/zinc/28/57/91/798285791.db2.gz RJRHCRJLCBZWQG-GOSISDBHSA-N 2 0 334.508 2.038 10 30 EEEERP C=CCc1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc(OC)c1O ZINC001177199796 798786859 /nfs/dbraw/zinc/78/68/59/798786859.db2.gz NQULBXUYMQWODH-UHFFFAOYSA-N 2 0 347.503 2.245 10 30 EEEERP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001445609214 1091403064 /nfs/dbraw/zinc/40/30/64/1091403064.db2.gz IAEHLNZDIHHZGV-UONOGXRCSA-N 2 0 346.313 2.252 10 30 EEEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001439895352 1092955594 /nfs/dbraw/zinc/95/55/94/1092955594.db2.gz XFUCGQYEUYVUIL-RDJZCZTQSA-N 2 0 327.900 2.442 10 30 EEEERP C=C(Br)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001449072176 1094086827 /nfs/dbraw/zinc/08/68/27/1094086827.db2.gz BGCWNJJWOCNWHF-CYBMUJFWSA-N 2 0 346.313 2.062 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001480077836 1099621800 /nfs/dbraw/zinc/62/18/00/1099621800.db2.gz BCINNKMXYAYYPO-KRWDZBQOSA-N 2 0 338.455 2.450 10 30 EEEERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](CC)CC ZINC001480222523 1099840586 /nfs/dbraw/zinc/84/05/86/1099840586.db2.gz KPFXAGCVCAGDPR-CEXWTWQISA-N 2 0 342.487 2.415 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480472060 1100278614 /nfs/dbraw/zinc/27/86/14/1100278614.db2.gz MRKQNJQTIJIIML-VQIMIIECSA-N 2 0 345.462 2.146 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001496443251 1101034337 /nfs/dbraw/zinc/03/43/37/1101034337.db2.gz GFKLUBAGKDZNSK-RDJZCZTQSA-N 2 0 338.455 2.496 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]Cc2ccccc2F)CC1 ZINC001495815192 1101633915 /nfs/dbraw/zinc/63/39/15/1101633915.db2.gz ZIDHKLFKTREPKY-MRXNPFEDSA-N 2 0 345.462 2.013 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001497196578 1102108809 /nfs/dbraw/zinc/10/88/09/1102108809.db2.gz AMFHSNCUXQTDPX-WMLDXEAASA-N 2 0 348.516 2.479 10 30 EEEERP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001494018126 1103354080 /nfs/dbraw/zinc/35/40/80/1103354080.db2.gz DZDKSFVSEDUVHW-QZTJIDSGSA-N 2 0 331.504 2.102 10 30 EEEERP C=C(C[NH+](C)C)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC001467744289 1110462774 /nfs/dbraw/zinc/46/27/74/1110462774.db2.gz AIMJYJIVDQHBSQ-UHFFFAOYSA-N 2 0 333.398 2.026 10 30 EEEERP C#CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001499480257 1112311763 /nfs/dbraw/zinc/31/17/63/1112311763.db2.gz FRSKCWFOKMMHCS-ZWKOTPCHSA-N 2 0 333.520 2.301 10 30 EEEERP C#CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001499526881 1112342282 /nfs/dbraw/zinc/34/22/82/1112342282.db2.gz AXWFGUUDZJFEHZ-LJQANCHMSA-N 2 0 331.504 2.197 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CCCC=C)C2)CC1 ZINC001501091740 1113196255 /nfs/dbraw/zinc/19/62/55/1113196255.db2.gz QAWLBOPYWFIDTR-IEBWSBKVSA-N 2 0 331.504 2.124 10 30 EEEERP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001501156200 1113218218 /nfs/dbraw/zinc/21/82/18/1113218218.db2.gz NBEBDFSEJFMCRN-JKSUJKDBSA-N 2 0 331.460 2.052 10 30 EEEERP C#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001502404746 1113669111 /nfs/dbraw/zinc/66/91/11/1113669111.db2.gz MQXNILBZZQCRQN-OALUTQOASA-N 2 0 333.520 2.302 10 30 EEEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001505397008 1113934852 /nfs/dbraw/zinc/93/48/52/1113934852.db2.gz ZMQYMTAJIZODBQ-LJQANCHMSA-N 2 0 333.520 2.465 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001507426056 1115262639 /nfs/dbraw/zinc/26/26/39/1115262639.db2.gz DZHJFPZPYZLMPA-VQIMIIECSA-N 2 0 327.472 2.260 10 30 EEEERP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001567941113 1124196387 /nfs/dbraw/zinc/19/63/87/1124196387.db2.gz SQXLKEKVYWVUHU-SFHVURJKSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CC2CC(C)C2)C2CC2)CC1 ZINC001568034875 1124241657 /nfs/dbraw/zinc/24/16/57/1124241657.db2.gz YGVYRPXRZUXGKP-BPZDKFOGSA-N 2 0 345.531 2.252 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001568076839 1124281951 /nfs/dbraw/zinc/28/19/51/1124281951.db2.gz SESMQUITECNMRI-LJQANCHMSA-N 2 0 333.520 2.494 10 30 EEEERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CC#Cc1ccccc1 ZINC001568178952 1124341303 /nfs/dbraw/zinc/34/13/03/1124341303.db2.gz LUSLTACTSWBFII-SFHVURJKSA-N 2 0 339.483 2.008 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000417066713 466769318 /nfs/dbraw/zinc/76/93/18/466769318.db2.gz QZRLUGVTHJJCDK-QUCCMNQESA-N 2 0 348.535 2.470 10 30 EEEERP CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000594440266 468589587 /nfs/dbraw/zinc/58/95/87/468589587.db2.gz BFTHMMOPJGLPLX-OALUTQOASA-N 2 0 342.487 2.351 10 30 EEEERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594443883 468590809 /nfs/dbraw/zinc/59/08/09/468590809.db2.gz WNHLGFQDUKTHJB-MAUKXSAKSA-N 2 0 343.475 2.134 10 30 EEEERP C=C1CC(C)(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000630865186 470015829 /nfs/dbraw/zinc/01/58/29/470015829.db2.gz CHVMQDBFFCBUON-UHFFFAOYSA-N 2 0 328.460 2.066 10 30 EEEERP C=CC[C@]1(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000662758344 472237860 /nfs/dbraw/zinc/23/78/60/472237860.db2.gz QSSZIMBKZCJKTL-HXUWFJFHSA-N 2 0 342.487 2.071 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673862318 485560000 /nfs/dbraw/zinc/56/00/00/485560000.db2.gz XZNQAXCWSJCPRM-UHFFFAOYSA-N 2 0 326.404 2.039 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C(C)C ZINC000173927448 527645020 /nfs/dbraw/zinc/64/50/20/527645020.db2.gz LKWZPHAYUADPRN-OALUTQOASA-N 2 0 346.519 2.341 10 30 EEEERP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000261723064 681641381 /nfs/dbraw/zinc/64/13/81/681641381.db2.gz XASGPGLAWCRJEB-MIEORUQNSA-N 2 0 346.519 2.124 10 30 EEEERP CC[NH+]=C(NCC[N@H+](C)C1CCCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261935909 682427241 /nfs/dbraw/zinc/42/72/41/682427241.db2.gz CKQTUUSIGCKJPP-LJQANCHMSA-N 2 0 336.524 2.329 10 30 EEEERP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1[O-] ZINC000925042094 682665285 /nfs/dbraw/zinc/66/52/85/682665285.db2.gz RSCJUZYGTXOBOJ-APWZRJJASA-N 2 0 342.487 2.473 10 30 EEEERP C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262008495 682809395 /nfs/dbraw/zinc/80/93/95/682809395.db2.gz WCTVDKMKTVSOSY-RHSMWYFYSA-N 2 0 342.491 2.265 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2ccccc2C)CC1 ZINC001267155498 1178339717 /nfs/dbraw/zinc/33/97/17/1178339717.db2.gz RJXWGCUBYYKYIJ-SFHVURJKSA-N 2 0 341.499 2.325 10 30 EEEERP CC[C@@H](C(=O)NCCN(C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001267226281 1178544071 /nfs/dbraw/zinc/54/40/71/1178544071.db2.gz QKGURENETGMZHE-KRWDZBQOSA-N 2 0 335.879 2.080 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001481252491 1180476838 /nfs/dbraw/zinc/47/68/38/1180476838.db2.gz WYUIDQMOMQWZAI-QGZVFWFLSA-N 2 0 348.516 2.288 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H](C)[NH2+]CCC=C)C2)CC1 ZINC001268178314 1181960960 /nfs/dbraw/zinc/96/09/60/1181960960.db2.gz DUOXLZYQPDRGQI-IEBWSBKVSA-N 2 0 331.504 2.124 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH2+]CC(=C)C)CC1 ZINC001268198044 1181993120 /nfs/dbraw/zinc/99/31/20/1181993120.db2.gz NQYKUAXDCHCWFH-MJGOQNOKSA-N 2 0 331.504 2.124 10 30 EEEERP CC[C@H](C(=O)NCC1CN(CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001481645868 1182062652 /nfs/dbraw/zinc/06/26/52/1182062652.db2.gz ZEUVFQJOJHBEOK-HXUWFJFHSA-N 2 0 341.499 2.207 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001268372426 1182370203 /nfs/dbraw/zinc/37/02/03/1182370203.db2.gz DOVUSEFZQVGLAI-QAPCUYQASA-N 2 0 330.476 2.129 10 30 EEEERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001268399095 1182482570 /nfs/dbraw/zinc/48/25/70/1182482570.db2.gz SUTPWKRCQYZUEZ-VQIMIIECSA-N 2 0 347.478 2.248 10 30 EEEERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC#Cc1ccccc1 ZINC001481811506 1182738986 /nfs/dbraw/zinc/73/89/86/1182738986.db2.gz TUMNFFURNIRUBI-WOJBJXKFSA-N 2 0 341.499 2.395 10 30 EEEERP CN(CCC[NH2+]Cc1cc(C#N)ccc1F)C(=O)C[N@H+](C)C1CCC1 ZINC001268797749 1183713199 /nfs/dbraw/zinc/71/31/99/1183713199.db2.gz XVBYCLCXRGESKK-UHFFFAOYSA-N 2 0 346.450 2.120 10 30 EEEERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001268838446 1183754809 /nfs/dbraw/zinc/75/48/09/1183754809.db2.gz AQUDBBZKVLWKAQ-GOSISDBHSA-N 2 0 348.466 2.222 10 30 EEEERP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001269564864 1184396345 /nfs/dbraw/zinc/39/63/45/1184396345.db2.gz LROSGDMZIMLYIO-DWBSNAHUSA-N 2 0 349.519 2.031 10 30 EEEERP CC[C@@H](C(=O)NC1(C[NH2+]CC#Cc2ccccc2)CCCC1)[NH+](C)C ZINC001269588800 1184414037 /nfs/dbraw/zinc/41/40/37/1184414037.db2.gz VVDCHYPEAPTXNR-IBGZPJMESA-N 2 0 341.499 2.397 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]CC#Cc2ccccc2)CC1 ZINC001269903185 1184706735 /nfs/dbraw/zinc/70/67/35/1184706735.db2.gz YLQDLBWIPMLJKK-UHFFFAOYSA-N 2 0 341.499 2.208 10 30 EEEERP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001691508402 1185363741 /nfs/dbraw/zinc/36/37/41/1185363741.db2.gz NCWIXRSISFVISF-OALUTQOASA-N 2 0 340.471 2.123 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001271528977 1186293440 /nfs/dbraw/zinc/29/34/40/1186293440.db2.gz DJBNWHXEULCGIZ-AZUAARDMSA-N 2 0 341.499 2.011 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001271698231 1186379195 /nfs/dbraw/zinc/37/91/95/1186379195.db2.gz AWHBQNSDXSVGMI-LPHOPBHVSA-N 2 0 333.520 2.369 10 30 EEEERP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001691553893 1188254020 /nfs/dbraw/zinc/25/40/20/1188254020.db2.gz KKAFACFOYJTMLT-RBUKOAKNSA-N 2 0 327.472 2.241 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCCCF)C[C@H]2C)CC1 ZINC001486135545 1193691215 /nfs/dbraw/zinc/69/12/15/1193691215.db2.gz PZEHIJKJIVAJCP-AEFFLSMTSA-N 2 0 337.483 2.050 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001486135864 1193691757 /nfs/dbraw/zinc/69/17/57/1193691757.db2.gz RJCLNMFWFJRHQG-VQIMIIECSA-N 2 0 345.462 2.096 10 30 EEEERP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1CC ZINC001484323522 1191304882 /nfs/dbraw/zinc/30/48/82/1191304882.db2.gz GPOATSXJJSNYPZ-SLFFLAALSA-N 2 0 341.499 2.359 10 30 EEEERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001484546878 1191408537 /nfs/dbraw/zinc/40/85/37/1191408537.db2.gz KUKISZBDRWEVOJ-QFBILLFUSA-N 2 0 342.487 2.227 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CCO1 ZINC001484693183 1191469084 /nfs/dbraw/zinc/46/90/84/1191469084.db2.gz DEJWUPMLVVTNLI-RBUKOAKNSA-N 2 0 345.487 2.073 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001272688930 1191481505 /nfs/dbraw/zinc/48/15/05/1191481505.db2.gz UEESUJLUMUTTJD-MAUKXSAKSA-N 2 0 347.890 2.270 10 30 EEEERP C#CCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001484772537 1191514937 /nfs/dbraw/zinc/51/49/37/1191514937.db2.gz WFJISBPPDBJTJW-RBUKOAKNSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCC[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001484920622 1191575836 /nfs/dbraw/zinc/57/58/36/1191575836.db2.gz MNNLOPGHUNNIJB-UHFFFAOYSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]C[C@H](C)CC(C)C)C2)CC1 ZINC001485110354 1191657609 /nfs/dbraw/zinc/65/76/09/1191657609.db2.gz GAVHIXJAIWATRK-PGYGNJIDSA-N 2 0 347.547 2.498 10 30 EEEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001486234963 1193787367 /nfs/dbraw/zinc/78/73/67/1193787367.db2.gz PFZOCKDTVROQJZ-MSOLQXFVSA-N 2 0 331.504 2.243 10 30 EEEERP CC[C@@H](C(=O)NCC1([NH2+]CC#Cc2ccc(F)cc2)CCC1)[NH+](C)C ZINC001273155132 1197107026 /nfs/dbraw/zinc/10/70/26/1197107026.db2.gz WFVRSQKFAITDTL-SFHVURJKSA-N 2 0 345.462 2.146 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876762248 1199761142 /nfs/dbraw/zinc/76/11/42/1199761142.db2.gz CXZFFRWSPSSOOV-IRXDYDNUSA-N 2 0 335.879 2.437 10 30 EEEERP C=CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883191800 1202028845 /nfs/dbraw/zinc/02/88/45/1202028845.db2.gz JYRRRCQMIKSRHP-HKUYNNGSSA-N 2 0 330.472 2.371 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1 ZINC001274609033 1205095489 /nfs/dbraw/zinc/09/54/89/1205095489.db2.gz HUOJNGLHFUXAOX-HMECNJMJSA-N 2 0 340.471 2.195 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001275309820 1205305531 /nfs/dbraw/zinc/30/55/31/1205305531.db2.gz NHMNDSAQNAJTDQ-KRWDZBQOSA-N 2 0 329.488 2.110 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC2CCCCCC2)CC1 ZINC001275459055 1205371693 /nfs/dbraw/zinc/37/16/93/1205371693.db2.gz KXCQIOVFLUWTQG-KRWDZBQOSA-N 2 0 333.520 2.396 10 30 EEEERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000925848455 1206160145 /nfs/dbraw/zinc/16/01/45/1206160145.db2.gz AUIGJWBMUFAYOV-IRXDYDNUSA-N 2 0 327.428 2.284 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCCCC)C2)CC1 ZINC001490856727 1210162712 /nfs/dbraw/zinc/16/27/12/1210162712.db2.gz KIUGRICDOLXURO-IBGZPJMESA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691736731 1210719885 /nfs/dbraw/zinc/71/98/85/1210719885.db2.gz BZNNTBCUZSGRBP-ZIFCJYIRSA-N 2 0 331.504 2.291 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000900046277 1233989619 /nfs/dbraw/zinc/98/96/19/1233989619.db2.gz WPMLOYWNUGTZSU-UHFFFAOYSA-N 2 0 340.471 2.100 10 30 EEEERP N#CC1(CCC[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)CCOCC1 ZINC001413092501 1234075075 /nfs/dbraw/zinc/07/50/75/1234075075.db2.gz TWFQTOMLYMWGRH-UHFFFAOYSA-N 2 0 349.519 2.400 10 30 EEEERP C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(C#N)ccn1 ZINC000902948618 1239163647 /nfs/dbraw/zinc/16/36/47/1239163647.db2.gz VAEILXQHFFKFHN-DNVCBOLYSA-N 2 0 336.439 2.371 10 30 EEEERP CC[C@H](C(=O)N(CC)CC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001273451417 1278424566 /nfs/dbraw/zinc/42/45/66/1278424566.db2.gz ZZPHTHAFPCDOQS-GOSISDBHSA-N 2 0 349.906 2.470 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCC(C)(C)C)C[C@@H]2C)CC1 ZINC001278422143 1310195545 /nfs/dbraw/zinc/19/55/45/1310195545.db2.gz ANZKOEFBGGZIIR-WMZOPIPTSA-N 2 0 333.520 2.347 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001278480548 1310545132 /nfs/dbraw/zinc/54/51/32/1310545132.db2.gz LMHAVVKDGXZJNC-IPMKNSEASA-N 2 0 343.515 2.102 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001278480543 1310545484 /nfs/dbraw/zinc/54/54/84/1310545484.db2.gz LMHAVVKDGXZJNC-CEXWTWQISA-N 2 0 343.515 2.102 10 30 EEEERP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001279079004 1319192125 /nfs/dbraw/zinc/19/21/25/1319192125.db2.gz CDEIWFLWPKJWAF-WBVHZDCISA-N 2 0 327.488 2.459 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@@H]21 ZINC001264586538 1322741561 /nfs/dbraw/zinc/74/15/61/1322741561.db2.gz RAHIXCUYNJPNSQ-MISYRCLQSA-N 2 0 345.531 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001265235979 1323001909 /nfs/dbraw/zinc/00/19/09/1323001909.db2.gz ZTTDTZWTDQHVPY-PKOBYXMFSA-N 2 0 331.504 2.267 10 30 EEEERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001265493873 1323182337 /nfs/dbraw/zinc/18/23/37/1323182337.db2.gz FYUMZOIZSBAOIC-VAMGGRTRSA-N 2 0 341.499 2.395 10 30 EEEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001265682212 1323318061 /nfs/dbraw/zinc/31/80/61/1323318061.db2.gz NGKBLAQLVDGPOS-CRAIPNDOSA-N 2 0 325.472 2.356 10 30 EEEERP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)O2 ZINC001280930579 1324648180 /nfs/dbraw/zinc/64/81/80/1324648180.db2.gz ZFSKPJUNCRKIKU-QGZVFWFLSA-N 2 0 349.519 2.177 10 30 EEEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001282310804 1325685776 /nfs/dbraw/zinc/68/57/76/1325685776.db2.gz SZDRXJWVOOSBQQ-GOSISDBHSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492177439 1331056410 /nfs/dbraw/zinc/05/64/10/1331056410.db2.gz GRCZKJTXDMTOOH-RTBURBONSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001317264008 1332157843 /nfs/dbraw/zinc/15/78/43/1332157843.db2.gz KKXKMFYXBMOIKW-INIZCTEOSA-N 2 0 347.478 2.249 10 30 EEEERP C=C(Br)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001317624833 1332334404 /nfs/dbraw/zinc/33/44/04/1332334404.db2.gz XDVZBAXQVXXYHJ-CQSZACIVSA-N 2 0 346.313 2.065 10 30 EEEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001318976090 1332631464 /nfs/dbraw/zinc/63/14/64/1332631464.db2.gz KJWVRIFCNLJACR-MXVIHJGJSA-N 2 0 341.499 2.201 10 30 EEEERP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)CC1 ZINC001326586194 1334120256 /nfs/dbraw/zinc/12/02/56/1334120256.db2.gz SSCJAGJSPVKPDI-MRXNPFEDSA-N 2 0 325.472 2.167 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCC2)CC1 ZINC001326928548 1334185581 /nfs/dbraw/zinc/18/55/81/1334185581.db2.gz OQTVKPJWMCTBGH-UHFFFAOYSA-N 2 0 345.531 2.396 10 30 EEEERP C=CCCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001328491594 1334467276 /nfs/dbraw/zinc/46/72/76/1334467276.db2.gz FFBGBEBHUPCWKG-SFHVURJKSA-N 2 0 349.519 2.130 10 30 EEEERP C=CCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001329922113 1334740122 /nfs/dbraw/zinc/74/01/22/1334740122.db2.gz AFYWRENEXNCAQM-SFHVURJKSA-N 2 0 349.519 2.178 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCCC=C)CC2(C)C)CC1 ZINC001330261912 1334814827 /nfs/dbraw/zinc/81/48/27/1334814827.db2.gz ISARHWFXEPMWEG-SFHVURJKSA-N 2 0 331.504 2.124 10 30 EEEERP C#CC[NH2+][C@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001331215461 1334981202 /nfs/dbraw/zinc/98/12/02/1334981202.db2.gz ZDRYYUQZUKEFLC-HSALFYBXSA-N 2 0 341.499 2.086 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC#Cc2ccc(F)cc2)CCC1 ZINC001673242473 1356656897 /nfs/dbraw/zinc/65/68/97/1356656897.db2.gz ZQCMJLUGRMKCSU-UHFFFAOYSA-N 2 0 345.462 2.146 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001569828844 1342954275 /nfs/dbraw/zinc/95/42/75/1342954275.db2.gz PIRUXDBFUSNSOI-QFBILLFUSA-N 2 0 327.472 2.212 10 30 EEEERP C#CC[N@@H+](C)CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)C(C)C ZINC001677211189 1357296011 /nfs/dbraw/zinc/29/60/11/1357296011.db2.gz DPYQNKBADLMKPJ-UHFFFAOYSA-N 2 0 329.488 2.206 10 30 EEEERP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001663684219 1355016595 /nfs/dbraw/zinc/01/65/95/1355016595.db2.gz SNHFOTGITPMTBE-LJQANCHMSA-N 2 0 341.499 2.208 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001666145013 1355466060 /nfs/dbraw/zinc/46/60/60/1355466060.db2.gz BNLMLDKJNPKQQH-APWZRJJASA-N 2 0 337.483 2.050 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC2CC[NH+](CC(C)C)CC2)CC1 ZINC001666389635 1355521752 /nfs/dbraw/zinc/52/17/52/1355521752.db2.gz MIYVNUSOBPYAOI-UHFFFAOYSA-N 2 0 333.520 2.206 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668174216 1355892217 /nfs/dbraw/zinc/89/22/17/1355892217.db2.gz WXWODSXAFDEACN-KDOFPFPSSA-N 2 0 346.450 2.166 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001671323106 1356328920 /nfs/dbraw/zinc/32/89/20/1356328920.db2.gz YXYQQWIDHALFPB-KRWDZBQOSA-N 2 0 339.443 2.428 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1CC ZINC001672183080 1356475373 /nfs/dbraw/zinc/47/53/73/1356475373.db2.gz MGPUBTBPECWUNE-IBGZPJMESA-N 2 0 329.488 2.359 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001699425521 1405354635 /nfs/dbraw/zinc/35/46/35/1405354635.db2.gz ORSGXMWJAPPFON-HNNXBMFYSA-N 2 0 335.879 2.128 10 30 EEEERP C=CCOCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001699680975 1405438053 /nfs/dbraw/zinc/43/80/53/1405438053.db2.gz VAUYTNVVPFVOKY-CEXWTWQISA-N 2 0 349.519 2.127 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445572279 1091351382 /nfs/dbraw/zinc/35/13/82/1091351382.db2.gz OJXXFFNXWVZHBS-LPHOPBHVSA-N 2 0 342.487 2.273 10 30 EEEERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001440660907 1093930398 /nfs/dbraw/zinc/93/03/98/1093930398.db2.gz RHAHVEYGZZNFQP-MAUKXSAKSA-N 2 0 328.460 2.027 10 30 EEEERP CC(C)[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001441423708 1095015060 /nfs/dbraw/zinc/01/50/60/1095015060.db2.gz YDVJYEAIJNILAM-LJQANCHMSA-N 2 0 342.487 2.275 10 30 EEEERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CC#Cc2ccccc2)CC[N@@H+]1C ZINC001479792381 1098999054 /nfs/dbraw/zinc/99/90/54/1098999054.db2.gz SDJXJZBZALDTOY-ICSRJNTNSA-N 2 0 341.499 2.207 10 30 EEEERP CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001444739744 1099615885 /nfs/dbraw/zinc/61/58/85/1099615885.db2.gz BEHZYDPOKSNWLX-YOEHRIQHSA-N 2 0 348.516 2.334 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H](C)[NH2+]CC(C)C)C2)CC1 ZINC001496466135 1101057852 /nfs/dbraw/zinc/05/78/52/1101057852.db2.gz ZBTLKHMWSXULDF-MJGOQNOKSA-N 2 0 333.520 2.204 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001495427696 1101145286 /nfs/dbraw/zinc/14/52/86/1101145286.db2.gz DMGKQOHAWIJLEV-IBGZPJMESA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](F)CC)CC2)CC1 ZINC001495479957 1101189425 /nfs/dbraw/zinc/18/94/25/1101189425.db2.gz QMGORGANZJHORG-BZSNNMDCSA-N 2 0 337.483 2.097 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001497184514 1102088392 /nfs/dbraw/zinc/08/83/92/1102088392.db2.gz AHZWKIYANHJAPW-ICSRJNTNSA-N 2 0 341.499 2.395 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001497196579 1102109171 /nfs/dbraw/zinc/10/91/71/1102109171.db2.gz AMFHSNCUXQTDPX-YOEHRIQHSA-N 2 0 348.516 2.479 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)Cc1ccc(C#N)s1 ZINC001447371777 1102546480 /nfs/dbraw/zinc/54/64/80/1102546480.db2.gz GPPLGBAWCCWZQV-UHFFFAOYSA-N 2 0 336.505 2.240 10 30 EEEERP C[NH+](C)CCCC(=O)N1CC[C@@H](C[N@H+](C)CC#Cc2ccccc2)C1 ZINC001494154961 1103615306 /nfs/dbraw/zinc/61/53/06/1103615306.db2.gz AEFFBVNQHFGIRV-FQEVSTJZSA-N 2 0 341.499 2.160 10 30 EEEERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001494999748 1104641169 /nfs/dbraw/zinc/64/11/69/1104641169.db2.gz AWBUZQVDZFAPOP-DOTOQJQBSA-N 2 0 334.439 2.022 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cc(C)ccc2C)CC1 ZINC001498197123 1107063263 /nfs/dbraw/zinc/06/32/63/1107063263.db2.gz FNHFOGGHACYXON-SFHVURJKSA-N 2 0 341.499 2.243 10 30 EEEERP C#CC[NH+](C)CCCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC001468760879 1110479997 /nfs/dbraw/zinc/47/99/97/1110479997.db2.gz REQUFZXJZDPPLP-QGZVFWFLSA-N 2 0 336.524 2.141 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CCC)CC1 ZINC001500054612 1112595183 /nfs/dbraw/zinc/59/51/83/1112595183.db2.gz RUXFSQASBJFGGT-MJGOQNOKSA-N 2 0 333.520 2.443 10 30 EEEERP C[C@]1(C[NH2+]Cc2ccc(C#N)s2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001500402569 1112804704 /nfs/dbraw/zinc/80/47/04/1112804704.db2.gz WCBOHACZBNLNBG-GOSISDBHSA-N 2 0 346.500 2.044 10 30 EEEERP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001500505641 1112897217 /nfs/dbraw/zinc/89/72/17/1112897217.db2.gz USCFMFVUELWUAF-AZUAARDMSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[N@H+]1CCC[C@](C)(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001500511789 1112904471 /nfs/dbraw/zinc/90/44/71/1112904471.db2.gz KIJQQVMDGQMWRO-OAQYLSRUSA-N 2 0 341.499 2.256 10 30 EEEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCOCC1 ZINC001500582129 1112954806 /nfs/dbraw/zinc/95/48/06/1112954806.db2.gz SMYMEXMNMPOASZ-SFHVURJKSA-N 2 0 349.519 2.225 10 30 EEEERP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001500616606 1112979024 /nfs/dbraw/zinc/97/90/24/1112979024.db2.gz GJBNETQBXONONX-HOTGVXAUSA-N 2 0 343.462 2.368 10 30 EEEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001501679492 1113430744 /nfs/dbraw/zinc/43/07/44/1113430744.db2.gz QNWSLFZHQWPKOQ-LPHOPBHVSA-N 2 0 327.472 2.461 10 30 EEEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001501679491 1113430882 /nfs/dbraw/zinc/43/08/82/1113430882.db2.gz QNWSLFZHQWPKOQ-APWZRJJASA-N 2 0 327.472 2.461 10 30 EEEERP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001502125687 1113602852 /nfs/dbraw/zinc/60/28/52/1113602852.db2.gz IMEQAQDRPMIYPR-GOSISDBHSA-N 2 0 349.519 2.036 10 30 EEEERP CC#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001506958326 1115005986 /nfs/dbraw/zinc/00/59/86/1115005986.db2.gz DBEXCFFLPWMZNI-LJQANCHMSA-N 2 0 331.504 2.340 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001507363532 1115223732 /nfs/dbraw/zinc/22/37/32/1115223732.db2.gz LXTOHTDLCLUUTC-ARFHVFGLSA-N 2 0 327.900 2.297 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568647365 1124659011 /nfs/dbraw/zinc/65/90/11/1124659011.db2.gz YJCXLAYEYUXBJZ-KBXCAEBGSA-N 2 0 346.450 2.166 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568793599 1124806286 /nfs/dbraw/zinc/80/62/86/1124806286.db2.gz QWIYQCDVYURMOJ-SFHVURJKSA-N 2 0 330.476 2.083 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1CC ZINC001569343768 1125244294 /nfs/dbraw/zinc/24/42/94/1125244294.db2.gz YYNQLKOMBVKNJZ-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)C(C)C ZINC000376577960 466920125 /nfs/dbraw/zinc/92/01/25/466920125.db2.gz HBTIQVCMEZQVOC-SFHVURJKSA-N 2 0 334.508 2.175 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001671497187 1176842577 /nfs/dbraw/zinc/84/25/77/1176842577.db2.gz NPYUAKMFTIXERY-PKOBYXMFSA-N 2 0 331.504 2.338 10 30 EEEERP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001692014515 1177678012 /nfs/dbraw/zinc/67/80/12/1177678012.db2.gz YLTQRCZCJXFPNY-RTBURBONSA-N 2 0 331.504 2.197 10 30 EEEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691363370 1177966782 /nfs/dbraw/zinc/96/67/82/1177966782.db2.gz BDPYQWVVRNKKTQ-MSOLQXFVSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001267088565 1178214071 /nfs/dbraw/zinc/21/40/71/1178214071.db2.gz MNNZYUUBNXTFLJ-RBUKOAKNSA-N 2 0 327.472 2.402 10 30 EEEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001267088564 1178214120 /nfs/dbraw/zinc/21/41/20/1178214120.db2.gz MNNZYUUBNXTFLJ-OALUTQOASA-N 2 0 327.472 2.402 10 30 EEEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750947513 1178621321 /nfs/dbraw/zinc/62/13/21/1178621321.db2.gz YXLBEMQBGNIHNO-HOTGVXAUSA-N 2 0 327.488 2.459 10 30 EEEERP C=CCOCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001481059783 1179652014 /nfs/dbraw/zinc/65/20/14/1179652014.db2.gz PIKJLEHCIFNRPH-ROUUACIJSA-N 2 0 337.508 2.033 10 30 EEEERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267828318 1180595279 /nfs/dbraw/zinc/59/52/79/1180595279.db2.gz VNAJRAXCKPTUSR-QZTJIDSGSA-N 2 0 333.451 2.002 10 30 EEEERP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267828319 1180595509 /nfs/dbraw/zinc/59/55/09/1180595509.db2.gz VNAJRAXCKPTUSR-ROUUACIJSA-N 2 0 333.451 2.002 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001268024573 1181036149 /nfs/dbraw/zinc/03/61/49/1181036149.db2.gz IQJZIDODPAMTSY-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001268132830 1181786585 /nfs/dbraw/zinc/78/65/85/1181786585.db2.gz PRHQCARONKIGLL-ZWKOTPCHSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CCC2CC2)CC1 ZINC001268165675 1181897952 /nfs/dbraw/zinc/89/79/52/1181897952.db2.gz HYBYKPYMILXESC-HXUWFJFHSA-N 2 0 345.531 2.493 10 30 EEEERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001482114142 1183344457 /nfs/dbraw/zinc/34/44/57/1183344457.db2.gz ZBKQIHRHSQILBG-KBXCAEBGSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001482172472 1183500126 /nfs/dbraw/zinc/50/01/26/1183500126.db2.gz UQDBORKQYDRNMT-INIZCTEOSA-N 2 0 333.520 2.110 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001268629949 1183554178 /nfs/dbraw/zinc/55/41/78/1183554178.db2.gz BDXOPANWKHXBFU-VGOKWCNXSA-N 2 0 346.500 2.256 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCCCC(F)(F)F)CC1 ZINC001268674376 1183601183 /nfs/dbraw/zinc/60/11/83/1183601183.db2.gz RKRHZRFJQKNLID-CQSZACIVSA-N 2 0 347.425 2.159 10 30 EEEERP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1COCCN1C1CCCC1 ZINC001268822334 1183741280 /nfs/dbraw/zinc/74/12/80/1183741280.db2.gz MYTADKHZBOVAJI-SFHVURJKSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCCN2C)[nH]n1 ZINC001268944026 1183840828 /nfs/dbraw/zinc/84/08/28/1183840828.db2.gz GWKZALOPGJKVQH-RLFYNMQTSA-N 2 0 343.475 2.041 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCC3=CCCCC3)CC2)CC1 ZINC001269544611 1184368104 /nfs/dbraw/zinc/36/81/04/1184368104.db2.gz MFPKCBCOYPQGSK-UHFFFAOYSA-N 2 0 343.515 2.461 10 30 EEEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001269632423 1184456747 /nfs/dbraw/zinc/45/67/47/1184456747.db2.gz BSWOFVVZPQVIHY-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C1CCCC1 ZINC001270433665 1185096888 /nfs/dbraw/zinc/09/68/88/1185096888.db2.gz WDTXZYFHKKJOBR-HXUWFJFHSA-N 2 0 341.499 2.302 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CC3CCCC3)C2)CC1 ZINC001270847160 1185457130 /nfs/dbraw/zinc/45/71/30/1185457130.db2.gz LILYBJJJHBBJLH-NRFANRHFSA-N 2 0 345.531 2.350 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccccc2F)CC1 ZINC001482368693 1185529514 /nfs/dbraw/zinc/52/95/14/1185529514.db2.gz RCIWWTBOSLFRTG-MRXNPFEDSA-N 2 0 345.462 2.107 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](C/C=C/Cl)C1 ZINC001270965577 1185776720 /nfs/dbraw/zinc/77/67/20/1185776720.db2.gz LIMNXLVQEABBGT-SEHGVRFQSA-N 2 0 337.895 2.055 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001482851050 1187770287 /nfs/dbraw/zinc/77/02/87/1187770287.db2.gz LMYWLAQQXRQLIZ-INIZCTEOSA-N 2 0 340.471 2.171 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001483226592 1189469622 /nfs/dbraw/zinc/46/96/22/1189469622.db2.gz BBDBDYBULVRKSK-MAUKXSAKSA-N 2 0 328.460 2.025 10 30 EEEERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001409393080 1189614517 /nfs/dbraw/zinc/61/45/17/1189614517.db2.gz JGCHKAWJPGCWMV-UONOGXRCSA-N 2 0 346.450 2.022 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409393071 1189614528 /nfs/dbraw/zinc/61/45/28/1189614528.db2.gz JGCHKAWJPGCWMV-KGLIPLIRSA-N 2 0 346.450 2.022 10 30 EEEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001483817492 1191045703 /nfs/dbraw/zinc/04/57/03/1191045703.db2.gz OHDPDKAODTYSRD-IBGZPJMESA-N 2 0 333.520 2.443 10 30 EEEERP C#CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001483984724 1191142251 /nfs/dbraw/zinc/14/22/51/1191142251.db2.gz WROFIXQAKCYLBI-YLJYHZDGSA-N 2 0 345.531 2.301 10 30 EEEERP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001483989009 1191144286 /nfs/dbraw/zinc/14/42/86/1191144286.db2.gz UBCKXLQVRWJMCI-MSOLQXFVSA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001484000694 1191150537 /nfs/dbraw/zinc/15/05/37/1191150537.db2.gz IUZRFYNXSPVZCQ-MOPGFXCFSA-N 2 0 331.504 2.291 10 30 EEEERP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)C1([NH+](C)C)CCC1 ZINC001484398633 1191331228 /nfs/dbraw/zinc/33/12/28/1191331228.db2.gz GWJCAQVBFLPPHB-UHFFFAOYSA-N 2 0 327.472 2.112 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272688932 1191481765 /nfs/dbraw/zinc/48/17/65/1191481765.db2.gz UEESUJLUMUTTJD-YJBOKZPZSA-N 2 0 347.890 2.270 10 30 EEEERP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCC[NH+]1CCCC1)O2 ZINC001484792142 1191527522 /nfs/dbraw/zinc/52/75/22/1191527522.db2.gz WQYOSBXYDQDNLS-SFHVURJKSA-N 2 0 349.519 2.178 10 30 EEEERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001485183137 1191679881 /nfs/dbraw/zinc/67/98/81/1191679881.db2.gz ZPEHBVQPEWTVGS-ZIAGYGMSSA-N 2 0 348.516 2.477 10 30 EEEERP C=CCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC001486452730 1193974404 /nfs/dbraw/zinc/97/44/04/1193974404.db2.gz NNZCLJSZRLHCPO-UONOGXRCSA-N 2 0 347.425 2.416 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273018789 1194325192 /nfs/dbraw/zinc/32/51/92/1194325192.db2.gz OSBGXQBEWLUUAA-LSDHHAIUSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC001273261255 1197849348 /nfs/dbraw/zinc/84/93/48/1197849348.db2.gz SKMXOEPAKTWTBR-HKUYNNGSSA-N 2 0 349.519 2.034 10 30 EEEERP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC001273301266 1197994597 /nfs/dbraw/zinc/99/45/97/1197994597.db2.gz ROBNACBVURLZCE-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000876850004 1199795500 /nfs/dbraw/zinc/79/55/00/1199795500.db2.gz FJVYGUIQQRYRMI-HNNXBMFYSA-N 2 0 327.831 2.186 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876901068 1199812949 /nfs/dbraw/zinc/81/29/49/1199812949.db2.gz XWSFBLHALAMHIP-XIRDDKMYSA-N 2 0 335.879 2.483 10 30 EEEERP C#CCN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C1CC[NH+](C)CC1 ZINC000886581300 1202526831 /nfs/dbraw/zinc/52/68/31/1202526831.db2.gz RRFZXONAVGUXDP-UHFFFAOYSA-N 2 0 348.450 2.417 10 30 EEEERP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001275190839 1205278080 /nfs/dbraw/zinc/27/80/80/1205278080.db2.gz NSWFAKAQROHGAY-IBGZPJMESA-N 2 0 333.520 2.302 10 30 EEEERP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001446018827 1205511724 /nfs/dbraw/zinc/51/17/24/1205511724.db2.gz USAPOGWDNWMKNP-ZIAGYGMSSA-N 2 0 346.313 2.063 10 30 EEEERP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001491296837 1258913184 /nfs/dbraw/zinc/91/31/84/1258913184.db2.gz GJAAAZICZOLMGN-LPHOPBHVSA-N 2 0 342.487 2.227 10 30 EEEERP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001273849096 1286761719 /nfs/dbraw/zinc/76/17/19/1286761719.db2.gz PUKWBVPIILXIRO-HXUWFJFHSA-N 2 0 331.504 2.200 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001490765295 1291699279 /nfs/dbraw/zinc/69/92/79/1291699279.db2.gz MOXXSAPUGQVHTP-SFHVURJKSA-N 2 0 333.520 2.302 10 30 EEEERP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001276388535 1297159198 /nfs/dbraw/zinc/15/91/98/1297159198.db2.gz ISANWCWYPUNTQU-VQIMIIECSA-N 2 0 349.519 2.033 10 30 EEEERP C=CC[NH+]1CCC(C)(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001278079472 1305879177 /nfs/dbraw/zinc/87/91/77/1305879177.db2.gz IUIBGSVKMSMMTH-GOSISDBHSA-N 2 0 325.472 2.356 10 30 EEEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001263848328 1322536473 /nfs/dbraw/zinc/53/64/73/1322536473.db2.gz PGUKWVCVSWCADU-UHOSZYNNSA-N 2 0 327.472 2.187 10 30 EEEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001264127875 1322635987 /nfs/dbraw/zinc/63/59/87/1322635987.db2.gz NEBRWAUHHSKNCC-MOPGFXCFSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001264740281 1322797581 /nfs/dbraw/zinc/79/75/81/1322797581.db2.gz MAXVXFMWFDAQTG-DLBZAZTESA-N 2 0 325.472 2.003 10 30 EEEERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001265507863 1323188257 /nfs/dbraw/zinc/18/82/57/1323188257.db2.gz XUKFKVNAIIONHB-IYARVYRRSA-N 2 0 345.874 2.024 10 30 EEEERP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001265613835 1323268631 /nfs/dbraw/zinc/26/86/31/1323268631.db2.gz XCHSIWDYICPNFO-WOJBJXKFSA-N 2 0 341.499 2.207 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001280198178 1324110849 /nfs/dbraw/zinc/11/08/49/1324110849.db2.gz OFTDBXXJTXOWML-VQIMIIECSA-N 2 0 337.483 2.050 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001280309242 1324153529 /nfs/dbraw/zinc/15/35/29/1324153529.db2.gz ZVEXLFWLMMRVEX-RTBURBONSA-N 2 0 333.520 2.348 10 30 EEEERP CCCCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001282783170 1325785574 /nfs/dbraw/zinc/78/55/74/1325785574.db2.gz XSPOFJZUWZKMQH-IBGZPJMESA-N 2 0 339.524 2.212 10 30 EEEERP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001284221675 1326465172 /nfs/dbraw/zinc/46/51/72/1326465172.db2.gz WZRHWNYGDCUVSD-IEBWSBKVSA-N 2 0 329.488 2.465 10 30 EEEERP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001284794685 1326718354 /nfs/dbraw/zinc/71/83/54/1326718354.db2.gz KLVFZTCKPJNMPW-ABHNRTSZSA-N 2 0 337.508 2.031 10 30 EEEERP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN(CC)CCO1 ZINC001317050121 1332060956 /nfs/dbraw/zinc/06/09/56/1332060956.db2.gz QVEBAKLWLVHBSA-CEXWTWQISA-N 2 0 349.519 2.129 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317424587 1332228414 /nfs/dbraw/zinc/22/84/14/1332228414.db2.gz RJBCLADAEBFODN-SFHVURJKSA-N 2 0 331.504 2.247 10 30 EEEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001317676941 1332365764 /nfs/dbraw/zinc/36/57/64/1332365764.db2.gz SBTOEGLBDJCVLP-QGZVFWFLSA-N 2 0 333.520 2.491 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001321065494 1333009457 /nfs/dbraw/zinc/00/94/57/1333009457.db2.gz AOAMHJZKQVNQJV-XPQDNOAISA-N 2 0 346.500 2.112 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001321532609 1333119707 /nfs/dbraw/zinc/11/97/07/1333119707.db2.gz JKPDLAHOLBOJKL-APWZRJJASA-N 2 0 345.462 2.146 10 30 EEEERP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001325363916 1333872449 /nfs/dbraw/zinc/87/24/49/1333872449.db2.gz VPGBUJSJYWAVMF-IBGZPJMESA-N 2 0 333.520 2.302 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2C#N)C1 ZINC001326419895 1334090422 /nfs/dbraw/zinc/09/04/22/1334090422.db2.gz UIXQSZUSZZTLKC-QGZVFWFLSA-N 2 0 342.487 2.228 10 30 EEEERP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001327981743 1334373598 /nfs/dbraw/zinc/37/35/98/1334373598.db2.gz IHIROXFXCNYFRP-QGZVFWFLSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001329203209 1334605377 /nfs/dbraw/zinc/60/53/77/1334605377.db2.gz QYKZDYCUBINSCV-WYMRFSOBSA-N 2 0 346.302 2.133 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001330707701 1334889261 /nfs/dbraw/zinc/88/92/61/1334889261.db2.gz HHEHLUIWZCGWHF-LNLFQRSKSA-N 2 0 331.504 2.171 10 30 EEEERP C=CCC[NH2+]CCc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001567185264 1342707375 /nfs/dbraw/zinc/70/73/75/1342707375.db2.gz SQCLKHLPERJSMX-UHFFFAOYSA-N 2 0 327.472 2.107 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676018865 1357090765 /nfs/dbraw/zinc/09/07/65/1357090765.db2.gz VASZGCRGNKFFLU-WMLDXEAASA-N 2 0 346.450 2.024 10 30 EEEERP C=CCOCC[NH+]1CCC(C)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001569578048 1342900862 /nfs/dbraw/zinc/90/08/62/1342900862.db2.gz CVTJRWKCFGIEQH-CALCHBBNSA-N 2 0 337.508 2.033 10 30 EEEERP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001571645534 1343260301 /nfs/dbraw/zinc/26/03/01/1343260301.db2.gz JMDLIQUSQJHBDI-QZTJIDSGSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001671251904 1354003140 /nfs/dbraw/zinc/00/31/40/1354003140.db2.gz PODXMWGVGMTOHY-QFBILLFUSA-N 2 0 331.504 2.101 10 30 EEEERP C#CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001661554848 1354657463 /nfs/dbraw/zinc/65/74/63/1354657463.db2.gz HDNIYQYPPUMHSR-ZWKOTPCHSA-N 2 0 333.520 2.301 10 30 EEEERP C=C(C)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001662804997 1354850465 /nfs/dbraw/zinc/85/04/65/1354850465.db2.gz AKAXOPQCWBYPDU-HXUWFJFHSA-N 2 0 341.499 2.353 10 30 EEEERP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001663103465 1354914711 /nfs/dbraw/zinc/91/47/11/1354914711.db2.gz BMYWDNJCIVQQOB-FQEVSTJZSA-N 2 0 341.499 2.351 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)Cc2ccc(F)cc2)CC1 ZINC001663460741 1354964796 /nfs/dbraw/zinc/96/47/96/1354964796.db2.gz BWWCSRPMLBDOJA-UHFFFAOYSA-N 2 0 345.462 2.109 10 30 EEEERP CC#CC[N@H+](C)CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001667421988 1355739594 /nfs/dbraw/zinc/73/95/94/1355739594.db2.gz ZWZDZTMHRCGSQN-UHFFFAOYSA-N 2 0 333.520 2.302 10 30 EEEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001671784732 1356413896 /nfs/dbraw/zinc/41/38/96/1356413896.db2.gz KSCGFMBSIKDEIA-RTBURBONSA-N 2 0 337.483 2.050 10 30 EEEERP C=CC[NH2+]CC1(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCCCC1 ZINC001675190989 1356943985 /nfs/dbraw/zinc/94/39/85/1356943985.db2.gz JBDZAGGYNZJWKR-UHFFFAOYSA-N 2 0 339.443 2.476 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](CCC3CC3)C2)CC1 ZINC001691867014 1404954113 /nfs/dbraw/zinc/95/41/13/1404954113.db2.gz KZSJLQULFJVATC-FQEVSTJZSA-N 2 0 345.531 2.445 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001698840589 1405102260 /nfs/dbraw/zinc/10/22/60/1405102260.db2.gz MOBFFDXCQBVRTR-CRAIPNDOSA-N 2 0 347.890 2.222 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001698840590 1405102296 /nfs/dbraw/zinc/10/22/96/1405102296.db2.gz MOBFFDXCQBVRTR-MAUKXSAKSA-N 2 0 347.890 2.222 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CCCF)CC1 ZINC001698922079 1405163560 /nfs/dbraw/zinc/16/35/60/1405163560.db2.gz AJGJLPSVDICKLF-SFHVURJKSA-N 2 0 337.483 2.052 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000913429095 788868608 /nfs/dbraw/zinc/86/86/08/788868608.db2.gz NBIAJDMCPIYHBE-MJGOQNOKSA-N 2 0 329.488 2.379 10 30 EEEERP C[N@@H+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001566439702 1125602421 /nfs/dbraw/zinc/60/24/21/1125602421.db2.gz IKTVEGJSQLUICL-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cccc(C#N)c1 ZINC001566458762 1125619257 /nfs/dbraw/zinc/61/92/57/1125619257.db2.gz JUTWAMINTXZQQT-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001437305581 1089460514 /nfs/dbraw/zinc/46/05/14/1089460514.db2.gz BMQOVNQCWZHGHM-CVEARBPZSA-N 2 0 327.900 2.442 10 30 EEEERP C=C(Br)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001438777306 1091369753 /nfs/dbraw/zinc/36/97/53/1091369753.db2.gz UNJKHCXUJYHVJZ-JSGCOSHPSA-N 2 0 346.313 2.063 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001448511910 1093538627 /nfs/dbraw/zinc/53/86/27/1093538627.db2.gz CYAPUOGUSQVSHN-JCNLHEQBSA-N 2 0 346.450 2.024 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001449054988 1094070208 /nfs/dbraw/zinc/07/02/08/1094070208.db2.gz JUOMSUNIFQQLQH-WBVHZDCISA-N 2 0 346.450 2.024 10 30 EEEERP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CN1C(=O)CCC[NH+](C)C ZINC001441828624 1095883275 /nfs/dbraw/zinc/88/32/75/1095883275.db2.gz BMGWMNVOONOMMN-PBHICJAKSA-N 2 0 346.450 2.118 10 30 EEEERP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001479667634 1098715645 /nfs/dbraw/zinc/71/56/45/1098715645.db2.gz WIURMCARACNJMN-FGTMMUONSA-N 2 0 339.499 2.413 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479831957 1099113715 /nfs/dbraw/zinc/11/37/15/1099113715.db2.gz VBJNTGKARWDSEP-PBHICJAKSA-N 2 0 348.516 2.431 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444609363 1099436703 /nfs/dbraw/zinc/43/67/03/1099436703.db2.gz COWLPYGXHSKREA-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP C=C(Br)C[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001444775009 1099676694 /nfs/dbraw/zinc/67/66/94/1099676694.db2.gz KPFSJZUZICMNGP-CQSZACIVSA-N 2 0 346.313 2.111 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001480305465 1100025199 /nfs/dbraw/zinc/02/51/99/1100025199.db2.gz CVFZHCASZCQNRV-IBGZPJMESA-N 2 0 342.487 2.227 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001445110012 1100349370 /nfs/dbraw/zinc/34/93/70/1100349370.db2.gz LSOZUHSQXNDRCH-RTBURBONSA-N 2 0 342.487 2.273 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001445109997 1100349539 /nfs/dbraw/zinc/34/95/39/1100349539.db2.gz LSOZUHSQXNDRCH-MOPGFXCFSA-N 2 0 342.487 2.273 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001497382829 1102412151 /nfs/dbraw/zinc/41/21/51/1102412151.db2.gz DMZQBUWOBLRUJF-DLBZAZTESA-N 2 0 348.516 2.288 10 30 EEEERP C=CC[NH2+]CCc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001480714532 1106944311 /nfs/dbraw/zinc/94/43/11/1106944311.db2.gz DWCMUOIPTLVEAO-UHFFFAOYSA-N 2 0 329.488 2.353 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1CC ZINC001498901561 1108299699 /nfs/dbraw/zinc/29/96/99/1108299699.db2.gz GMYHPWNGTBPOGJ-IEBWSBKVSA-N 2 0 333.520 2.347 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001493807131 1108686978 /nfs/dbraw/zinc/68/69/78/1108686978.db2.gz VZLUGIHDFGPUHY-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C=CCOCC[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001493832719 1108714969 /nfs/dbraw/zinc/71/49/69/1108714969.db2.gz SHTOILGMZIJCBG-QGZVFWFLSA-N 2 0 349.519 2.034 10 30 EEEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001500404279 1112806580 /nfs/dbraw/zinc/80/65/80/1112806580.db2.gz CACKSHMFOFRONQ-AZUAARDMSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001500511787 1112904308 /nfs/dbraw/zinc/90/43/08/1112904308.db2.gz KHFMCNLMZJVYDJ-HXUWFJFHSA-N 2 0 333.520 2.493 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001500519371 1112912663 /nfs/dbraw/zinc/91/26/63/1112912663.db2.gz NKNHUPQOIZHJNH-SFHVURJKSA-N 2 0 348.516 2.290 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(C#N)s1 ZINC001501400196 1113344406 /nfs/dbraw/zinc/34/44/06/1113344406.db2.gz QOTRVSCTTFKGBE-DLBZAZTESA-N 2 0 346.500 2.137 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001505677244 1114125592 /nfs/dbraw/zinc/12/55/92/1114125592.db2.gz FWOUDOYGOCSSBT-KGLIPLIRSA-N 2 0 334.439 2.022 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC([N@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC001506961110 1115009896 /nfs/dbraw/zinc/00/98/96/1115009896.db2.gz PFKQNZDXJHCBII-UHFFFAOYSA-N 2 0 346.450 2.072 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001507358788 1115219974 /nfs/dbraw/zinc/21/99/74/1115219974.db2.gz VGQNOZCIHWKXNU-GUDVDZBRSA-N 2 0 345.531 2.491 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001507454697 1115279559 /nfs/dbraw/zinc/27/95/59/1115279559.db2.gz ZBFCQAYPLYDHAK-SFHVURJKSA-N 2 0 342.487 2.225 10 30 EEEERP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568329415 1124421921 /nfs/dbraw/zinc/42/19/21/1124421921.db2.gz XPWGXDZDXBEPFE-ZWKOTPCHSA-N 2 0 333.520 2.395 10 30 EEEERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001569237369 1125186439 /nfs/dbraw/zinc/18/64/39/1125186439.db2.gz GNTURGOBHYXTKP-GOSISDBHSA-N 2 0 330.476 2.083 10 30 EEEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc2ccccc2n1C1CC1 ZINC000183836441 781922772 /nfs/dbraw/zinc/92/27/72/781922772.db2.gz PVXOOWYVTBOFNA-HNNXBMFYSA-N 2 0 340.475 2.260 10 30 EEEERP CC(C)CO[C@H]1CCN(CC#CC[N@@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000341879630 465272670 /nfs/dbraw/zinc/27/26/70/465272670.db2.gz BYNWGCKBNWAFND-PMACEKPBSA-N 2 0 336.520 2.484 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000129110253 462689389 /nfs/dbraw/zinc/68/93/89/462689389.db2.gz YFFYZKGRPRTADA-SJLPKXTDSA-N 2 0 336.524 2.399 10 30 EEEERP C=CCOc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000092615540 462965712 /nfs/dbraw/zinc/96/57/12/462965712.db2.gz DDUFHUAKRLERJB-UHFFFAOYSA-N 2 0 345.487 2.141 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(C)C ZINC000417074294 466771177 /nfs/dbraw/zinc/77/11/77/466771177.db2.gz ZCNRWWWKJMTYKW-KSZLIROESA-N 2 0 334.508 2.221 10 30 EEEERP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600717275 468631901 /nfs/dbraw/zinc/63/19/01/468631901.db2.gz PXHOKWROVUDKLU-QZTJIDSGSA-N 2 0 337.508 2.159 10 30 EEEERP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CCC[NH2+]1 ZINC000639001372 470354122 /nfs/dbraw/zinc/35/41/22/470354122.db2.gz KDLYQYYPRCLYJT-AZUAARDMSA-N 2 0 327.472 2.384 10 30 EEEERP C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000262468542 686198615 /nfs/dbraw/zinc/19/86/15/686198615.db2.gz OEFIMUNCJAYLQJ-FMKPAKJESA-N 2 0 336.505 2.166 10 30 EEEERP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001671355531 1177008019 /nfs/dbraw/zinc/00/80/19/1177008019.db2.gz NDEPVYCYGXZVMS-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001691148732 1177638573 /nfs/dbraw/zinc/63/85/73/1177638573.db2.gz GKCBUKDVALCBCH-WGSAOQKQSA-N 2 0 339.483 2.007 10 30 EEEERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC#Cc2ccccc2Cl)CC[N@@H+]1C ZINC001481232177 1180365836 /nfs/dbraw/zinc/36/58/36/1180365836.db2.gz WWGRACLYKBJIJH-NVXWUHKLSA-N 2 0 347.890 2.080 10 30 EEEERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001268001215 1180953073 /nfs/dbraw/zinc/95/30/73/1180953073.db2.gz XXZPRZKLYGXUSZ-LPHOPBHVSA-N 2 0 345.462 2.003 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001268024571 1181035053 /nfs/dbraw/zinc/03/50/53/1181035053.db2.gz IQJZIDODPAMTSY-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP O=C(CC[NH+]1CCCCC1)N[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001481696797 1182223828 /nfs/dbraw/zinc/22/38/28/1182223828.db2.gz ZGWUKAOJVDEMDK-FQEVSTJZSA-N 2 0 339.483 2.105 10 30 EEEERP CN(CCC[NH2+]Cc1cccc(C#N)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268799165 1183715404 /nfs/dbraw/zinc/71/54/04/1183715404.db2.gz VXVXPVDVUYUVPK-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP CC[C@H](C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001268914807 1183822930 /nfs/dbraw/zinc/82/29/30/1183822930.db2.gz FUPQNCJUCGVIOD-GOSISDBHSA-N 2 0 349.906 2.470 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001269621560 1184446518 /nfs/dbraw/zinc/44/65/18/1184446518.db2.gz GKBCEGVAWPIDAB-IBGZPJMESA-N 2 0 331.504 2.197 10 30 EEEERP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001270807179 1185406589 /nfs/dbraw/zinc/40/65/89/1185406589.db2.gz WGUYCZCLZNVVLC-MSOLQXFVSA-N 2 0 349.519 2.225 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC3CCC3)CCCC2)CC1 ZINC001270825445 1185428514 /nfs/dbraw/zinc/42/85/14/1185428514.db2.gz BPUAAKGMRAPGDX-UHFFFAOYSA-N 2 0 331.504 2.150 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001271334220 1186144057 /nfs/dbraw/zinc/14/40/57/1186144057.db2.gz GVRHMHOUEHNYIK-OALUTQOASA-N 2 0 331.504 2.006 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001482483713 1186184883 /nfs/dbraw/zinc/18/48/83/1186184883.db2.gz PQCSCKOJKDIRBJ-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001482570607 1186905669 /nfs/dbraw/zinc/90/56/69/1186905669.db2.gz FPBYBOYOXSILAY-SFHVURJKSA-N 2 0 348.466 2.268 10 30 EEEERP CC[C@@H](C(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1)[NH+](CC)CC ZINC001670855262 1187509197 /nfs/dbraw/zinc/50/91/97/1187509197.db2.gz SQYALRNZLXTEEG-IBGZPJMESA-N 2 0 341.499 2.397 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)C[N@H+](C)C(C)C ZINC001482970458 1187912039 /nfs/dbraw/zinc/91/20/39/1187912039.db2.gz UMUOTQCEDVEBLB-UHFFFAOYSA-N 2 0 349.906 2.470 10 30 EEEERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)CN(C)CC#Cc1ccccc1 ZINC001483343898 1190377976 /nfs/dbraw/zinc/37/79/76/1190377976.db2.gz LABXMXQQAYKHMC-IEBWSBKVSA-N 2 0 347.478 2.155 10 30 EEEERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001483499778 1190513805 /nfs/dbraw/zinc/51/38/05/1190513805.db2.gz XRNBYYATSNRSIV-UHFFFAOYSA-N 2 0 342.487 2.228 10 30 EEEERP C#CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC=C(C)C)CC1 ZINC001483984155 1191142180 /nfs/dbraw/zinc/14/21/80/1191142180.db2.gz KPLILFUGMJCJQX-HXUWFJFHSA-N 2 0 343.515 2.221 10 30 EEEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001484093220 1191207498 /nfs/dbraw/zinc/20/74/98/1191207498.db2.gz FOHZITPISDQOOD-YLJYHZDGSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001485228572 1191698372 /nfs/dbraw/zinc/69/83/72/1191698372.db2.gz DLXVQXPLSFMLHL-DLBZAZTESA-N 2 0 327.472 2.015 10 30 EEEERP CCCC[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485471451 1191801358 /nfs/dbraw/zinc/80/13/58/1191801358.db2.gz HDAVEEVCUDWKFI-RBUKOAKNSA-N 2 0 342.487 2.275 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000876779957 1199770795 /nfs/dbraw/zinc/77/07/95/1199770795.db2.gz PEFXJQDLLCHYMG-OAHLLOKOSA-N 2 0 336.867 2.155 10 30 EEEERP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001274345681 1205006217 /nfs/dbraw/zinc/00/62/17/1205006217.db2.gz XYFJVICUVKPDJK-ROUUACIJSA-N 2 0 349.519 2.177 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001275571644 1205422513 /nfs/dbraw/zinc/42/25/13/1205422513.db2.gz QJKQBRFAQMGQNT-DLBZAZTESA-N 2 0 331.504 2.315 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000928652715 1206407710 /nfs/dbraw/zinc/40/77/10/1206407710.db2.gz JNPWIKXJPDLUAC-UHFFFAOYSA-N 2 0 339.483 2.500 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000928654904 1206408229 /nfs/dbraw/zinc/40/82/29/1206408229.db2.gz HNPFYYXQQXUUFF-FQEVSTJZSA-N 2 0 339.483 2.255 10 30 EEEERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001266712967 1276586905 /nfs/dbraw/zinc/58/69/05/1276586905.db2.gz KVRXRUJLEZVTCJ-KSZLIROESA-N 2 0 347.890 2.269 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001489200042 1290441361 /nfs/dbraw/zinc/44/13/61/1290441361.db2.gz PQTSHZDXGJRNCF-MOPGFXCFSA-N 2 0 345.531 2.302 10 30 EEEERP C[NH+](C)[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000852872761 1292223052 /nfs/dbraw/zinc/22/30/52/1292223052.db2.gz QJTABNIBXBZSHW-KRWDZBQOSA-N 2 0 333.863 2.062 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)[C@H](C)C1 ZINC001277786034 1304483619 /nfs/dbraw/zinc/48/36/19/1304483619.db2.gz SBJIXMYLRCWHSU-IEBWSBKVSA-N 2 0 327.472 2.111 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)C(C)C ZINC001120571024 1309616003 /nfs/dbraw/zinc/61/60/03/1309616003.db2.gz XDWFYJGAKDDTII-KZNAEPCWSA-N 2 0 336.524 2.311 10 30 EEEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001278678403 1317674987 /nfs/dbraw/zinc/67/49/87/1317674987.db2.gz QQZWIEIWCMCNSE-OAQYLSRUSA-N 2 0 341.499 2.012 10 30 EEEERP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001279204493 1318033116 /nfs/dbraw/zinc/03/31/16/1318033116.db2.gz NQPIQEOEMFKKPV-IRXDYDNUSA-N 2 0 345.487 2.442 10 30 EEEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001264755125 1322810010 /nfs/dbraw/zinc/81/00/10/1322810010.db2.gz ISAKQCPUGLIXQC-ZWKOTPCHSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001264755124 1322810478 /nfs/dbraw/zinc/81/04/78/1322810478.db2.gz ISAKQCPUGLIXQC-ROUUACIJSA-N 2 0 333.520 2.347 10 30 EEEERP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001265336005 1323083268 /nfs/dbraw/zinc/08/32/68/1323083268.db2.gz NNAWMXJQDCGOFY-MSOLQXFVSA-N 2 0 331.504 2.101 10 30 EEEERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265790678 1323383092 /nfs/dbraw/zinc/38/30/92/1323383092.db2.gz QHXYYRJXBLUGTK-YJBOKZPZSA-N 2 0 347.890 2.270 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001279329347 1323876209 /nfs/dbraw/zinc/87/62/09/1323876209.db2.gz SYPKSGCBLXPJLB-UHFFFAOYSA-N 2 0 345.462 2.096 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001284181289 1326450362 /nfs/dbraw/zinc/45/03/62/1326450362.db2.gz WCIZNXLDDOMUAR-GOEBONIOSA-N 2 0 333.501 2.321 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001284227529 1326467090 /nfs/dbraw/zinc/46/70/90/1326467090.db2.gz QYRZWACQGCEAIN-IEBWSBKVSA-N 2 0 327.472 2.260 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001284229371 1326467343 /nfs/dbraw/zinc/46/73/43/1326467343.db2.gz YIXADKHJWUCNNK-PMACEKPBSA-N 2 0 341.499 2.254 10 30 EEEERP C=CC[NH2+]C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)(C)C ZINC001284610762 1326629657 /nfs/dbraw/zinc/62/96/57/1326629657.db2.gz ZSNVSOMEHYUAOK-INIZCTEOSA-N 2 0 327.432 2.187 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC001285016078 1326830126 /nfs/dbraw/zinc/83/01/26/1326830126.db2.gz QMBRBAKZIYMLKH-WMZOPIPTSA-N 2 0 345.462 2.285 10 30 EEEERP C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC001295768609 1329840951 /nfs/dbraw/zinc/84/09/51/1329840951.db2.gz KSHRDAQQQSXOIS-UHFFFAOYSA-N 2 0 330.476 2.273 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC001492026792 1330452181 /nfs/dbraw/zinc/45/21/81/1330452181.db2.gz AHAMQQDOZUXJCY-AYOQOUSVSA-N 2 0 342.487 2.273 10 30 EEEERP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001492177433 1331056421 /nfs/dbraw/zinc/05/64/21/1331056421.db2.gz GRCZKJTXDMTOOH-MOPGFXCFSA-N 2 0 333.520 2.491 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001317355105 1332192183 /nfs/dbraw/zinc/19/21/83/1332192183.db2.gz KZXFIJHTBTXENQ-RTBURBONSA-N 2 0 345.462 2.146 10 30 EEEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001317676940 1332365901 /nfs/dbraw/zinc/36/59/01/1332365901.db2.gz SBTOEGLBDJCVLP-KRWDZBQOSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317769856 1332403114 /nfs/dbraw/zinc/40/31/14/1332403114.db2.gz LVPDXVNRJKRHCB-LJQANCHMSA-N 2 0 333.520 2.443 10 30 EEEERP C=CC[NH2+]C[C@](C)(NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001318712730 1332582231 /nfs/dbraw/zinc/58/22/31/1332582231.db2.gz IUWQPVPTABAUCR-ZWKOTPCHSA-N 2 0 325.472 2.259 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC=C(C)C)CC2)CC1 ZINC001318984858 1332632760 /nfs/dbraw/zinc/63/27/60/1332632760.db2.gz XLBWIHAUYFZJMI-WGSAOQKQSA-N 2 0 331.504 2.315 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001320414967 1332878435 /nfs/dbraw/zinc/87/84/35/1332878435.db2.gz NMSQTJYHQFQLGW-LPHOPBHVSA-N 2 0 342.487 2.415 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001325435610 1333885710 /nfs/dbraw/zinc/88/57/10/1333885710.db2.gz DWILAYKRMSAIQZ-XLIONFOSSA-N 2 0 341.499 2.254 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001326525450 1334109909 /nfs/dbraw/zinc/10/99/09/1334109909.db2.gz NVTJAYQYYWDQDL-FHWLQOOXSA-N 2 0 333.520 2.395 10 30 EEEERP C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001327082941 1334218391 /nfs/dbraw/zinc/21/83/91/1334218391.db2.gz YLFNONUPACFOHX-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001328082411 1334392371 /nfs/dbraw/zinc/39/23/71/1334392371.db2.gz OYWMUGVQIPBTQW-GOSISDBHSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(C)C[NH2+]CCCOC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001329778865 1334713375 /nfs/dbraw/zinc/71/33/75/1334713375.db2.gz LAEORVVDHIMJAC-UHFFFAOYSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001351862214 1337857692 /nfs/dbraw/zinc/85/76/92/1337857692.db2.gz UIUXWIWHSSVQFF-GVDBMIGSSA-N 2 0 346.523 2.192 10 30 EEEERP CCc1ccc(C#CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC001615788340 1352325634 /nfs/dbraw/zinc/32/56/34/1352325634.db2.gz QVCUYVRGWRBZQI-UHFFFAOYSA-N 2 0 343.515 2.333 10 30 EEEERP CC#CCN1Cc2ccc(CNC(=O)[C@H](F)C[NH+](CC)CC)cc2C1 ZINC001502650515 1342220472 /nfs/dbraw/zinc/22/04/72/1342220472.db2.gz CRVJBGWLXAJEBO-LJQANCHMSA-N 2 0 345.462 2.322 10 30 EEEERP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001571063431 1343157034 /nfs/dbraw/zinc/15/70/34/1343157034.db2.gz BGLWHGVCZNQBCS-BGYRXZFFSA-N 2 0 333.520 2.158 10 30 EEEERP C#CCC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC001571558485 1343237233 /nfs/dbraw/zinc/23/72/33/1343237233.db2.gz KQTAXNIHMRMRGB-OAHLLOKOSA-N 2 0 333.501 2.273 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001677049270 1357270290 /nfs/dbraw/zinc/27/02/90/1357270290.db2.gz XMXWJQDSWXWHRK-UONOGXRCSA-N 2 0 347.425 2.273 10 30 EEEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001656598404 1354251227 /nfs/dbraw/zinc/25/12/27/1354251227.db2.gz QDWAOEHLAUPFOR-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001661679030 1354671304 /nfs/dbraw/zinc/67/13/04/1354671304.db2.gz ZMVBXTGGKVAPQG-HDICACEKSA-N 2 0 347.890 2.270 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001664392138 1355152888 /nfs/dbraw/zinc/15/28/88/1355152888.db2.gz YLMSVRSDDNXHAO-GASCZTMLSA-N 2 0 346.450 2.118 10 30 EEEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001664457974 1355169388 /nfs/dbraw/zinc/16/93/88/1355169388.db2.gz XQBZQFAXEPGXAK-SFHVURJKSA-N 2 0 341.499 2.011 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]([N@@H+](C)CC)C1)C(C)C ZINC001665702007 1355364116 /nfs/dbraw/zinc/36/41/16/1355364116.db2.gz ULYOFMJEHLLNNZ-QZTJIDSGSA-N 2 0 336.524 2.421 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001666897609 1355611613 /nfs/dbraw/zinc/61/16/13/1355611613.db2.gz HBUHPIYIRYIPQO-AZUAARDMSA-N 2 0 341.499 2.347 10 30 EEEERP CCC[N@H+](C)CC(=O)N(C)CCC[NH+](C)CC#Cc1ccc(F)cc1 ZINC001673483164 1356694881 /nfs/dbraw/zinc/69/48/81/1356694881.db2.gz MBMLZUIAGWYUDI-UHFFFAOYSA-N 2 0 347.478 2.299 10 30 EEEERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001698621852 1405012967 /nfs/dbraw/zinc/01/29/67/1405012967.db2.gz ZGGFRDFSSFSEOF-HKUYNNGSSA-N 2 0 345.462 2.003 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CCCC1 ZINC001699797018 1405489175 /nfs/dbraw/zinc/48/91/75/1405489175.db2.gz SASHRBWYBZJILB-LPHOPBHVSA-N 2 0 337.483 2.097 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001437310224 1089467682 /nfs/dbraw/zinc/46/76/82/1089467682.db2.gz JKPGPROMNOQAHN-PBHICJAKSA-N 2 0 345.890 2.390 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445558560 1091333570 /nfs/dbraw/zinc/33/35/70/1091333570.db2.gz GHHPNQZKVXGWMC-MAUKXSAKSA-N 2 0 328.460 2.027 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001445909407 1091833062 /nfs/dbraw/zinc/83/30/62/1091833062.db2.gz YQIOFAFRCWMSMA-WMLDXEAASA-N 2 0 348.516 2.336 10 30 EEEERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001448688801 1093751487 /nfs/dbraw/zinc/75/14/87/1093751487.db2.gz ZYDDXMQPCZDISM-XJKSGUPXSA-N 2 0 334.489 2.041 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccccc2C#N)CC[N@@H+]1C ZINC001441505558 1095190980 /nfs/dbraw/zinc/19/09/80/1095190980.db2.gz CIEHBMCRUNEPAT-AYOQOUSVSA-N 2 0 342.487 2.225 10 30 EEEERP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001479979824 1099433788 /nfs/dbraw/zinc/43/37/88/1099433788.db2.gz AXZBYIWMGNTYMR-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001480458393 1100262559 /nfs/dbraw/zinc/26/25/59/1100262559.db2.gz DDRUYBCSUBSFFN-KSSFIOAISA-N 2 0 346.450 2.164 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCCC1 ZINC001496326173 1100921194 /nfs/dbraw/zinc/92/11/94/1100921194.db2.gz LSDSIEOLZGRPNB-ICSRJNTNSA-N 2 0 331.504 2.150 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CC2CCC2)C2CC2)CC1 ZINC001495303683 1101005346 /nfs/dbraw/zinc/00/53/46/1101005346.db2.gz QUCPMALECBKLTJ-HXUWFJFHSA-N 2 0 331.504 2.006 10 30 EEEERP CC#CC[N@H+](C)CCC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001496504172 1101101367 /nfs/dbraw/zinc/10/13/67/1101101367.db2.gz CHHMUGMHZAOIKK-LJQANCHMSA-N 2 0 333.520 2.445 10 30 EEEERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccccc1C#N ZINC001495732957 1101499474 /nfs/dbraw/zinc/49/94/74/1101499474.db2.gz ZVEMGRMWGDOGGN-ULQDDVLXSA-N 2 0 342.487 2.130 10 30 EEEERP C[C@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001498368698 1107401873 /nfs/dbraw/zinc/40/18/73/1107401873.db2.gz WCCXVNUDBQWEGC-GJYPPUQNSA-N 2 0 342.487 2.225 10 30 EEEERP CN(CCC[NH2+]CC#Cc1ccccc1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001498561037 1107723458 /nfs/dbraw/zinc/72/34/58/1107723458.db2.gz XWPJZCHJEDXZQR-FQEVSTJZSA-N 2 0 341.499 2.351 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2(C)CC[NH+](CCC=C)CC2)CC1 ZINC001500462889 1112851498 /nfs/dbraw/zinc/85/14/98/1112851498.db2.gz PKWYDIICCHZNRT-UHFFFAOYSA-N 2 0 331.504 2.126 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@H](C)[NH2+]CCCC=C)C2)CC1 ZINC001501091739 1113196159 /nfs/dbraw/zinc/19/61/59/1113196159.db2.gz QAWLBOPYWFIDTR-HKUYNNGSSA-N 2 0 331.504 2.124 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001501651281 1113416166 /nfs/dbraw/zinc/41/61/66/1113416166.db2.gz NDRASQMKLDFLOG-RTBURBONSA-N 2 0 333.520 2.348 10 30 EEEERP CCCC[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001506544299 1114687654 /nfs/dbraw/zinc/68/76/54/1114687654.db2.gz TXDDZCDVGFUKGN-YOEHRIQHSA-N 2 0 348.516 2.479 10 30 EEEERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001507151861 1115136220 /nfs/dbraw/zinc/13/62/20/1115136220.db2.gz KPGJTSMMQZCTKI-VQIMIIECSA-N 2 0 347.478 2.200 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCC(C)C)C(C)(C)C)CC1 ZINC001508037403 1115397979 /nfs/dbraw/zinc/39/79/79/1115397979.db2.gz SZMSYZDFLLUHOZ-GOSISDBHSA-N 2 0 335.536 2.498 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)c(F)c1 ZINC001508239139 1115457562 /nfs/dbraw/zinc/45/75/62/1115457562.db2.gz FSFKKKXGFPFATB-UHFFFAOYSA-N 2 0 345.462 2.429 10 30 EEEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(F)c1 ZINC001508241146 1115458076 /nfs/dbraw/zinc/45/80/76/1115458076.db2.gz FMSUYKXQDUGKJT-INIZCTEOSA-N 2 0 333.451 2.449 10 30 EEEERP CC#CC[NH2+]C[C@@](C)(NC(=O)c1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC001568027570 1124236989 /nfs/dbraw/zinc/23/69/89/1124236989.db2.gz DBMQOYOLAZQTCG-OAQYLSRUSA-N 2 0 341.499 2.302 10 30 EEEERP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001568427410 1124495153 /nfs/dbraw/zinc/49/51/53/1124495153.db2.gz UKPDOKQJVWJXLN-MAUKXSAKSA-N 2 0 339.443 2.284 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001568536752 1124598801 /nfs/dbraw/zinc/59/88/01/1124598801.db2.gz LVZFTBAYZKNJAR-HKUYNNGSSA-N 2 0 345.462 2.003 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1CC ZINC001569343771 1125244234 /nfs/dbraw/zinc/24/42/34/1125244234.db2.gz YYNQLKOMBVKNJZ-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001565876666 1125448363 /nfs/dbraw/zinc/44/83/63/1125448363.db2.gz MNPFTEHZYXESHD-MXVIHJGJSA-N 2 0 341.499 2.254 10 30 EEEERP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000131479012 529866977 /nfs/dbraw/zinc/86/69/77/529866977.db2.gz DIQBOPJCJQQSDJ-GOSISDBHSA-N 2 0 334.508 2.337 10 30 EEEERP C=CCNC(N[C@H](C)c1ccccc1)=[NH+]C[C@@H]1CC[N@@H+](CCOC)C1 ZINC000075583134 462734383 /nfs/dbraw/zinc/73/43/83/462734383.db2.gz IGCZZKBJBISPNJ-MSOLQXFVSA-N 2 0 344.503 2.437 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)CC1 ZINC000174769913 464449524 /nfs/dbraw/zinc/44/95/24/464449524.db2.gz MWVJKBCSQYGNOA-ZWKOTPCHSA-N 2 0 334.508 2.295 10 30 EEEERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594443201 468590798 /nfs/dbraw/zinc/59/07/98/468590798.db2.gz AKJSDGZFBLVPFM-KRWDZBQOSA-N 2 0 334.439 2.127 10 30 EEEERP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C(C)(C)C ZINC000600723370 468636210 /nfs/dbraw/zinc/63/62/10/468636210.db2.gz LIBFEHCGAJSYTK-JKSUJKDBSA-N 2 0 325.497 2.014 10 30 EEEERP C=CC[C@]1(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCC[NH2+]1 ZINC000662797154 472256478 /nfs/dbraw/zinc/25/64/78/472256478.db2.gz WKBPROQUSXLPNA-HXUWFJFHSA-N 2 0 349.519 2.036 10 30 EEEERP CN1CCC(C/N=C\c2cccc(O)c2O)([NH+]2CCCCC2)CC1 ZINC000741843179 578125114 /nfs/dbraw/zinc/12/51/14/578125114.db2.gz JSUKAZIPPPSEGW-ZHZULCJRSA-N 2 0 331.460 2.467 10 30 EEEERP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304649865 687011090 /nfs/dbraw/zinc/01/10/90/687011090.db2.gz GHWHQMRTTGQBCT-INIZCTEOSA-N 2 0 330.476 2.403 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266891386 1177725228 /nfs/dbraw/zinc/72/52/28/1177725228.db2.gz OWWUOUWPVYHQOV-QZTJIDSGSA-N 2 0 333.520 2.491 10 30 EEEERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001267152456 1178332573 /nfs/dbraw/zinc/33/25/73/1178332573.db2.gz MYYFKRJVWKOGHQ-MAUKXSAKSA-N 2 0 333.451 2.002 10 30 EEEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001267223364 1178534658 /nfs/dbraw/zinc/53/46/58/1178534658.db2.gz ZJKQWRFDADZYOY-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[N@@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001267284324 1178678985 /nfs/dbraw/zinc/67/89/85/1178678985.db2.gz CXEYSAIGENIYEU-UHFFFAOYSA-N 2 0 326.444 2.496 10 30 EEEERP CN(CC[NH2+]Cc1ccc(F)c(C#N)c1)C(=O)CC[NH+]1CCCCC1 ZINC001267473968 1179106450 /nfs/dbraw/zinc/10/64/50/1179106450.db2.gz PPAILGLBKHYRSE-UHFFFAOYSA-N 2 0 346.450 2.121 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC(C)(C)C)CC1 ZINC001267716598 1180264054 /nfs/dbraw/zinc/26/40/54/1180264054.db2.gz MPQJGPSFBOCQPM-OALUTQOASA-N 2 0 345.531 2.443 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001481335187 1181059068 /nfs/dbraw/zinc/05/90/68/1181059068.db2.gz RVAVEKCZBJCHRL-SQWLQELKSA-N 2 0 327.900 2.296 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)C[C@H](C)CC)C2)CC1 ZINC001481510346 1181599528 /nfs/dbraw/zinc/59/95/28/1181599528.db2.gz UUWIXTUEUVQMPS-QZTJIDSGSA-N 2 0 333.520 2.158 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC=C(Cl)Cl)CC1 ZINC001268100501 1181745725 /nfs/dbraw/zinc/74/57/25/1181745725.db2.gz XLRVMTSCJCSXKQ-CYBMUJFWSA-N 2 0 346.302 2.087 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCC2CCCC2)CC1 ZINC001268260653 1182092141 /nfs/dbraw/zinc/09/21/41/1182092141.db2.gz XIWKCYHMCQYAKD-UHFFFAOYSA-N 2 0 333.520 2.302 10 30 EEEERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001268397864 1182484601 /nfs/dbraw/zinc/48/46/01/1182484601.db2.gz DEDGATXPHJHGLU-RDTXWAMCSA-N 2 0 348.466 2.268 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001268427673 1182599204 /nfs/dbraw/zinc/59/92/04/1182599204.db2.gz YPIRYMXUXLCNME-QGZVFWFLSA-N 2 0 345.531 2.396 10 30 EEEERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001481824206 1182745179 /nfs/dbraw/zinc/74/51/79/1182745179.db2.gz QMBXVUVFDJLEGV-RTBURBONSA-N 2 0 327.472 2.007 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001268920235 1183817232 /nfs/dbraw/zinc/81/72/32/1183817232.db2.gz LLJOPOBOJXUPGS-SFHVURJKSA-N 2 0 348.466 2.222 10 30 EEEERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001269498111 1184320396 /nfs/dbraw/zinc/32/03/96/1184320396.db2.gz NYGDJZQPTIMZMJ-RTBURBONSA-N 2 0 347.478 2.248 10 30 EEEERP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001269570232 1184399559 /nfs/dbraw/zinc/39/95/59/1184399559.db2.gz GADKOILGMYRHGP-XVLXNVKGSA-N 2 0 349.519 2.175 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)C[NH+]1CCCC1 ZINC001271210016 1186083015 /nfs/dbraw/zinc/08/30/15/1186083015.db2.gz WSAYHZFUDJSLNH-MRXNPFEDSA-N 2 0 347.890 2.224 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001482483718 1186185344 /nfs/dbraw/zinc/18/53/44/1186185344.db2.gz PQCSCKOJKDIRBJ-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001271508663 1186277508 /nfs/dbraw/zinc/27/75/08/1186277508.db2.gz NJKZUYHRHZXRGZ-JKSUJKDBSA-N 2 0 339.443 2.284 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001482866970 1187787073 /nfs/dbraw/zinc/78/70/73/1187787073.db2.gz DSCFXMGWQWSLQB-AWEZNQCLSA-N 2 0 346.450 2.024 10 30 EEEERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001483023222 1188013001 /nfs/dbraw/zinc/01/30/01/1188013001.db2.gz WORNVMICERHUEN-XFHJGTJQSA-N 2 0 346.450 2.046 10 30 EEEERP C#CC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](CCC)CCC)CC[C@@H]21 ZINC001272223728 1188379648 /nfs/dbraw/zinc/37/96/48/1188379648.db2.gz JABQHNZVDNCTOG-OALUTQOASA-N 2 0 333.520 2.445 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001485884895 1193629615 /nfs/dbraw/zinc/62/96/15/1193629615.db2.gz DQLLGUIPQSZDSJ-QUCCMNQESA-N 2 0 341.499 2.072 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001409413742 1189644511 /nfs/dbraw/zinc/64/45/11/1189644511.db2.gz XZYVTRKKYLQWTF-OLZOCXBDSA-N 2 0 344.297 2.006 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001484002995 1191151904 /nfs/dbraw/zinc/15/19/04/1191151904.db2.gz ZNIQENFJVKJZLR-FVQBIDKESA-N 2 0 327.900 2.344 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001484385414 1191326034 /nfs/dbraw/zinc/32/60/34/1191326034.db2.gz ZGIJWKZNZZNNIN-QFBILLFUSA-N 2 0 342.487 2.083 10 30 EEEERP C=CCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)O2 ZINC001484784189 1191519458 /nfs/dbraw/zinc/51/94/58/1191519458.db2.gz LGKMJDVEDHCWIC-QGZVFWFLSA-N 2 0 349.519 2.177 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001484891770 1191566093 /nfs/dbraw/zinc/56/60/93/1191566093.db2.gz LOWGDTQBDVTUSA-MAUKXSAKSA-N 2 0 339.443 2.284 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CCCCC)CC1 ZINC001485080971 1191650208 /nfs/dbraw/zinc/65/02/08/1191650208.db2.gz YUVXNRKPLLXUBI-IBGZPJMESA-N 2 0 333.520 2.445 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485155648 1191668336 /nfs/dbraw/zinc/66/83/36/1191668336.db2.gz CLRKBDSSFXOYLV-KGLIPLIRSA-N 2 0 346.450 2.164 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC001486246887 1193773325 /nfs/dbraw/zinc/77/33/25/1193773325.db2.gz ULZHRCNNDUIVRV-MRXNPFEDSA-N 2 0 348.516 2.288 10 30 EEEERP CC(C)(C)[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[NH+]1CCCC1 ZINC001486423094 1193936740 /nfs/dbraw/zinc/93/67/40/1193936740.db2.gz JDOFGZHDRXRVFX-SFHVURJKSA-N 2 0 342.487 2.275 10 30 EEEERP CC#CC[NH2+]C1CC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001486476758 1193990146 /nfs/dbraw/zinc/99/01/46/1193990146.db2.gz MFQUMCHHSXASLU-UHFFFAOYSA-N 2 0 327.472 2.007 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CCC2CCCC2)CC1 ZINC001273203081 1197507891 /nfs/dbraw/zinc/50/78/91/1197507891.db2.gz GSCHMCWMGUEUOC-QGZVFWFLSA-N 2 0 333.520 2.396 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001410232507 1197622065 /nfs/dbraw/zinc/62/20/65/1197622065.db2.gz ZSJQGAAGLNIXQG-KLHDSHLOSA-N 2 0 327.900 2.344 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CCO1 ZINC001273286758 1197958407 /nfs/dbraw/zinc/95/84/07/1197958407.db2.gz WYEHEVXPQMDGRL-QGZVFWFLSA-N 2 0 337.508 2.033 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCO1 ZINC001273308548 1198014529 /nfs/dbraw/zinc/01/45/29/1198014529.db2.gz LTCNKIFTCCRANX-RTBURBONSA-N 2 0 349.519 2.177 10 30 EEEERP C=CCCC[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000880388160 1201476333 /nfs/dbraw/zinc/47/63/33/1201476333.db2.gz ISLFWHPXOILECQ-VQTJNVASSA-N 2 0 331.504 2.282 10 30 EEEERP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001275185461 1205277639 /nfs/dbraw/zinc/27/76/39/1205277639.db2.gz YJSXFLSZWURLLW-UXHICEINSA-N 2 0 345.531 2.446 10 30 EEEERP C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001275542128 1205403498 /nfs/dbraw/zinc/40/34/98/1205403498.db2.gz RUKWEJJBWATNSE-IAGOWNOFSA-N 2 0 347.478 2.392 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)Cc2ccsc2)CC1 ZINC001275729012 1205501388 /nfs/dbraw/zinc/50/13/88/1205501388.db2.gz JBNLIWGXDJNJOS-OAHLLOKOSA-N 2 0 333.501 2.030 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC/C=C\CCC)C2)CC1 ZINC001490958389 1258509653 /nfs/dbraw/zinc/50/96/53/1258509653.db2.gz XLCNRGVRRRZKHF-DCHJWAOUSA-N 2 0 331.504 2.315 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2n(n1)CCC[C@H]2[NH3+])C(C)C ZINC001121991228 1310194701 /nfs/dbraw/zinc/19/47/01/1310194701.db2.gz OEAIVSCBSLBKRL-QAPCUYQASA-N 2 0 345.491 2.105 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)CC1 ZINC001262571384 1322326297 /nfs/dbraw/zinc/32/62/97/1322326297.db2.gz TXAXUXVUWFPRDM-KRWDZBQOSA-N 2 0 334.508 2.330 10 30 EEEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001265338795 1323085583 /nfs/dbraw/zinc/08/55/83/1323085583.db2.gz LJTZTCHLKWQDAL-IBGZPJMESA-N 2 0 331.504 2.055 10 30 EEEERP C#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001265340400 1323086315 /nfs/dbraw/zinc/08/63/15/1323086315.db2.gz QDYMRYDGDVINTI-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001265852221 1323427370 /nfs/dbraw/zinc/42/73/70/1323427370.db2.gz XVFHXWCQOYTMMT-JKSUJKDBSA-N 2 0 347.890 2.128 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001266009119 1323561807 /nfs/dbraw/zinc/56/18/07/1323561807.db2.gz NOJYLVLXABTXFZ-IEBWSBKVSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001279273881 1323861750 /nfs/dbraw/zinc/86/17/50/1323861750.db2.gz WHEDZVAVPQEQGQ-FHWLQOOXSA-N 2 0 333.520 2.254 10 30 EEEERP C=C(Br)C[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001281456561 1325120802 /nfs/dbraw/zinc/12/08/02/1325120802.db2.gz CSKANSVMZDGBBE-JSGCOSHPSA-N 2 0 346.313 2.063 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001283010786 1325881207 /nfs/dbraw/zinc/88/12/07/1325881207.db2.gz GEORYXKULFCAHZ-GOSISDBHSA-N 2 0 349.519 2.036 10 30 EEEERP CC#CC[NH2+]CCC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001283433741 1326067926 /nfs/dbraw/zinc/06/79/26/1326067926.db2.gz IKBHYWRVGXGMOW-RBUKOAKNSA-N 2 0 327.472 2.331 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001284227531 1326467243 /nfs/dbraw/zinc/46/72/43/1326467243.db2.gz QYRZWACQGCEAIN-MJGOQNOKSA-N 2 0 327.472 2.260 10 30 EEEERP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001492164675 1331029629 /nfs/dbraw/zinc/02/96/29/1331029629.db2.gz DBOQXCWFGHSPFQ-APWZRJJASA-N 2 0 337.483 2.193 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001317066290 1332067359 /nfs/dbraw/zinc/06/73/59/1332067359.db2.gz LFFMWVVDTSDUGW-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001317099291 1332078499 /nfs/dbraw/zinc/07/84/99/1332078499.db2.gz AGZNWSCESWJHQF-RTBURBONSA-N 2 0 331.504 2.199 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001317414964 1332219528 /nfs/dbraw/zinc/21/95/28/1332219528.db2.gz GGEBYQNEOLUJCF-QGZVFWFLSA-N 2 0 331.504 2.316 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320826173 1332960762 /nfs/dbraw/zinc/96/07/62/1332960762.db2.gz BVZRVXQJVMQJPL-GJZGRUSLSA-N 2 0 348.516 2.288 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001321098462 1333019849 /nfs/dbraw/zinc/01/98/49/1333019849.db2.gz WQBZULVYIZIUIV-FAAWYNLUSA-N 2 0 346.500 2.256 10 30 EEEERP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001323816355 1333546506 /nfs/dbraw/zinc/54/65/06/1333546506.db2.gz OYIZHNPNUZLGBC-FQEVSTJZSA-N 2 0 331.504 2.200 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCCCCF)CC1 ZINC001324377365 1333669607 /nfs/dbraw/zinc/66/96/07/1333669607.db2.gz OPQLRCRJYZVEIS-SFHVURJKSA-N 2 0 337.483 2.147 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001324960927 1333797598 /nfs/dbraw/zinc/79/75/98/1333797598.db2.gz LBIHNAQDKSFRMK-QUCCMNQESA-N 2 0 333.520 2.491 10 30 EEEERP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001325054767 1333820090 /nfs/dbraw/zinc/82/00/90/1333820090.db2.gz PPRQXSRTXUILHC-CVEARBPZSA-N 2 0 343.462 2.368 10 30 EEEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001325703047 1333943836 /nfs/dbraw/zinc/94/38/36/1333943836.db2.gz VRBZXSFYTQWTOW-VQTJNVASSA-N 2 0 339.483 2.255 10 30 EEEERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001326307138 1334064922 /nfs/dbraw/zinc/06/49/22/1334064922.db2.gz ZGBMEFJEJMDFPB-WOJBJXKFSA-N 2 0 341.499 2.207 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001329152557 1334595782 /nfs/dbraw/zinc/59/57/82/1334595782.db2.gz RQWFSSSAHONBDN-MOPGFXCFSA-N 2 0 341.499 2.253 10 30 EEEERP CC[C@H](C(=O)N1C[C@H]([NH2+]CC#Cc2ccccc2)C(C)(C)C1)[NH+](C)C ZINC001332388807 1335816060 /nfs/dbraw/zinc/81/60/60/1335816060.db2.gz RRMGJTSZZDKHCW-MOPGFXCFSA-N 2 0 341.499 2.205 10 30 EEEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC001333021433 1335949211 /nfs/dbraw/zinc/94/92/11/1335949211.db2.gz OWCFVDLFKBRMKI-LSDHHAIUSA-N 2 0 347.425 2.416 10 30 EEEERP C#CCN1CCC[C@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001349849352 1337652710 /nfs/dbraw/zinc/65/27/10/1337652710.db2.gz LSQHDCIMMYDQSC-SFHVURJKSA-N 2 0 346.519 2.134 10 30 EEEERP C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001436354936 1342047726 /nfs/dbraw/zinc/04/77/26/1342047726.db2.gz NHRLQORHDPKZRP-UJKQEGAGSA-N 2 0 346.450 2.024 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001566623226 1342582957 /nfs/dbraw/zinc/58/29/57/1342582957.db2.gz KEACEDRZXRNAKN-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP C=CC[NH+]1CCC[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001566877895 1342645822 /nfs/dbraw/zinc/64/58/22/1342645822.db2.gz ILAITIKKSKBELH-QAPCUYQASA-N 2 0 325.472 2.213 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001566912233 1342651555 /nfs/dbraw/zinc/65/15/55/1342651555.db2.gz DMTKLAXHVKVHBG-RTBURBONSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001567198447 1342710005 /nfs/dbraw/zinc/71/00/05/1342710005.db2.gz IKNKRFYXBQIUOP-APWZRJJASA-N 2 0 337.483 2.145 10 30 EEEERP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001676365135 1357141047 /nfs/dbraw/zinc/14/10/47/1357141047.db2.gz SQOVWZJIFGZXKF-AZUAARDMSA-N 2 0 341.499 2.349 10 30 EEEERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001676461094 1357153468 /nfs/dbraw/zinc/15/34/68/1357153468.db2.gz CZKRBCWFKLIOEB-MAUKXSAKSA-N 2 0 349.906 2.468 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001661235063 1354614274 /nfs/dbraw/zinc/61/42/74/1354614274.db2.gz DBXUFRCFSDFSSP-MOPGFXCFSA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]C/C=C/Cl)CC2)CC1 ZINC001662142037 1354754822 /nfs/dbraw/zinc/75/48/22/1354754822.db2.gz LGTPXOXNLCZIIX-XCVCLJGOSA-N 2 0 337.895 2.101 10 30 EEEERP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001663537320 1354982658 /nfs/dbraw/zinc/98/26/58/1354982658.db2.gz MEVONVHWUTZGQY-OALUTQOASA-N 2 0 327.472 2.283 10 30 EEEERP C#CCC[NH2+]C[C@]1(NC(=O)C2CC[NH+](CC#C)CC2)CCCC[C@H]1C ZINC001666069750 1355440588 /nfs/dbraw/zinc/44/05/88/1355440588.db2.gz WHNUUXFOHJHLLG-WIYYLYMNSA-N 2 0 343.515 2.010 10 30 EEEERP C=C(Br)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001668426371 1355939015 /nfs/dbraw/zinc/93/90/15/1355939015.db2.gz HYKRYYJUMWSQSD-AWEZNQCLSA-N 2 0 346.313 2.206 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001669750166 1356202174 /nfs/dbraw/zinc/20/21/74/1356202174.db2.gz GXZYOEVPLQBFDL-SFHVURJKSA-N 2 0 327.472 2.008 10 30 EEEERP C#CC[NH2+]CC1(c2ccccc2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001674052108 1356782140 /nfs/dbraw/zinc/78/21/40/1356782140.db2.gz HAFVQNMUTOEGHF-UHFFFAOYSA-N 2 0 341.499 2.111 10 30 EEEERP C=CCCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001675421892 1356976706 /nfs/dbraw/zinc/97/67/06/1356976706.db2.gz COMCOFZUMZAKAY-ICSRJNTNSA-N 2 0 349.519 2.129 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001699943374 1405592643 /nfs/dbraw/zinc/59/26/43/1405592643.db2.gz HNCUFOQBIOMGNY-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)CC2(C)C)CC1 ZINC000941237519 780225865 /nfs/dbraw/zinc/22/58/65/780225865.db2.gz OEJWYSPURKOFME-LJQANCHMSA-N 2 0 345.531 2.348 10 30 EEEERP C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(OC)c1 ZINC000923429863 789530370 /nfs/dbraw/zinc/53/03/70/789530370.db2.gz BLFMMUZDTOZHDP-KBAYOESNSA-N 2 0 348.487 2.080 10 30 EEEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCn1ccnc1C ZINC001565974600 1125479762 /nfs/dbraw/zinc/47/97/62/1125479762.db2.gz OPHPAHFBGSLNBV-AEFFLSMTSA-N 2 0 330.476 2.212 10 30 EEEERP C=CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001566126941 1125576335 /nfs/dbraw/zinc/57/63/35/1125576335.db2.gz GDEUPCVMEGYFRS-CQSZACIVSA-N 2 0 348.516 2.035 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001437311880 1089470756 /nfs/dbraw/zinc/47/07/56/1089470756.db2.gz NEMMUTVRXTZLBJ-HOTGVXAUSA-N 2 0 327.900 2.440 10 30 EEEERP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[NH+]1CCCC1 ZINC001438728761 1091265052 /nfs/dbraw/zinc/26/50/52/1091265052.db2.gz ADOHLIXFGSEBCU-LJQANCHMSA-N 2 0 342.487 2.275 10 30 EEEERP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001438729083 1091266667 /nfs/dbraw/zinc/26/66/67/1091266667.db2.gz VCAKENSMTGUWCM-MOPGFXCFSA-N 2 0 342.487 2.273 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001439121708 1091764756 /nfs/dbraw/zinc/76/47/56/1091764756.db2.gz KTWFMLZGVRCMNW-QAPCUYQASA-N 2 0 328.460 2.027 10 30 EEEERP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001439224359 1091868837 /nfs/dbraw/zinc/86/88/37/1091868837.db2.gz HLKUWCYXCZYZRR-INIZCTEOSA-N 2 0 340.471 2.029 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001441571197 1095340618 /nfs/dbraw/zinc/34/06/18/1095340618.db2.gz SEFGJTGUEJNYTO-IHRRRGAJSA-N 2 0 346.313 2.062 10 30 EEEERP C#CC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001496861408 1101626604 /nfs/dbraw/zinc/62/66/04/1101626604.db2.gz STBDIHOCRWHRGP-HKUYNNGSSA-N 2 0 331.504 2.197 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@@H+](CCCC=C)C2)CC1 ZINC001494082029 1103493193 /nfs/dbraw/zinc/49/31/93/1103493193.db2.gz CIKHFDFLDAEIKO-GOSISDBHSA-N 2 0 331.504 2.126 10 30 EEEERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001495095960 1104735172 /nfs/dbraw/zinc/73/51/72/1104735172.db2.gz ZWVJLFMWEWEAQQ-NVXWUHKLSA-N 2 0 346.450 2.024 10 30 EEEERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001480677519 1106865166 /nfs/dbraw/zinc/86/51/66/1106865166.db2.gz SJYJVPOBDYRQNE-FQEVSTJZSA-N 2 0 341.499 2.208 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCN1CC#Cc1ccccc1 ZINC001498998707 1108435300 /nfs/dbraw/zinc/43/53/00/1108435300.db2.gz QNAMTVCHPXCXMN-PMACEKPBSA-N 2 0 339.483 2.103 10 30 EEEERP C#CCC[C@@H](O)C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC001461729522 1110347251 /nfs/dbraw/zinc/34/72/51/1110347251.db2.gz MXQAZTSHPLVWJP-LJQANCHMSA-N 2 0 329.488 2.083 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001501699022 1113440365 /nfs/dbraw/zinc/44/03/65/1113440365.db2.gz XECLOJMDMOMIRT-LNLFQRSKSA-N 2 0 331.504 2.291 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001502406772 1113671338 /nfs/dbraw/zinc/67/13/38/1113671338.db2.gz SDYRJVAGMCFMMW-RTBURBONSA-N 2 0 333.520 2.445 10 30 EEEERP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001503692504 1113899708 /nfs/dbraw/zinc/89/97/08/1113899708.db2.gz VTTDZGPIPROMOZ-IBGZPJMESA-N 2 0 327.472 2.374 10 30 EEEERP C=CCCC[NH+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001506720383 1114829241 /nfs/dbraw/zinc/82/92/41/1114829241.db2.gz HXQYLPSMUVWZTK-AZUAARDMSA-N 2 0 349.519 2.130 10 30 EEEERP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001506870756 1114941764 /nfs/dbraw/zinc/94/17/64/1114941764.db2.gz XKILTICKISOHSH-BGYRXZFFSA-N 2 0 331.504 2.056 10 30 EEEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001507024135 1115061888 /nfs/dbraw/zinc/06/18/88/1115061888.db2.gz HEEHOPLVCDEJNI-MRXNPFEDSA-N 2 0 333.501 2.273 10 30 EEEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001507027746 1115065561 /nfs/dbraw/zinc/06/55/61/1115065561.db2.gz LFCJLYSBWNXAOF-LPHOPBHVSA-N 2 0 337.483 2.049 10 30 EEEERP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCCC[NH+](C)C ZINC001507294498 1115178450 /nfs/dbraw/zinc/17/84/50/1115178450.db2.gz ZTXPVOZOULJFNI-WMLDXEAASA-N 2 0 348.516 2.431 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568664424 1124678709 /nfs/dbraw/zinc/67/87/09/1124678709.db2.gz NAYBNSFWOZUQBS-INIZCTEOSA-N 2 0 342.487 2.417 10 30 EEEERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352837993 274485965 /nfs/dbraw/zinc/48/59/65/274485965.db2.gz CWPGXDPTNSVTJH-CYBMUJFWSA-N 2 0 340.393 2.303 10 30 EEEERP C[C@@H]1C[C@H](N(C)CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1C ZINC000123025384 463309978 /nfs/dbraw/zinc/30/99/78/463309978.db2.gz CMBZJVSTHVKCBN-SJLPKXTDSA-N 2 0 328.460 2.348 10 30 EEEERP C=CC[C@@]1(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662391585 472094889 /nfs/dbraw/zinc/09/48/89/472094889.db2.gz CKXAUQOZGSABRQ-FQEVSTJZSA-N 2 0 327.472 2.419 10 30 EEEERP C=CC[C@]1(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662717190 472219921 /nfs/dbraw/zinc/21/99/21/472219921.db2.gz LSWKWIBQAVWHAZ-HXUWFJFHSA-N 2 0 345.487 2.332 10 30 EEEERP C#CCN(C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914357200 683530060 /nfs/dbraw/zinc/53/00/60/683530060.db2.gz CAVOXIZUIGDPPR-FGTMMUONSA-N 2 0 348.535 2.092 10 30 EEEERP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485722821 1191909832 /nfs/dbraw/zinc/90/98/32/1191909832.db2.gz QZUUAUHQYOGWKE-QWFCFKBJSA-N 2 0 341.499 2.253 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](CC)c1ccccc1 ZINC001480874673 1176548073 /nfs/dbraw/zinc/54/80/73/1176548073.db2.gz JMEKKGWRGXQOOV-OALUTQOASA-N 2 0 327.472 2.283 10 30 EEEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001266605782 1176945083 /nfs/dbraw/zinc/94/50/83/1176945083.db2.gz REGOWMLTUCJVPR-SHTZXODSSA-N 2 0 325.416 2.084 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001772542523 1177421034 /nfs/dbraw/zinc/42/10/34/1177421034.db2.gz CBUOODDSRSQHKA-MSOLQXFVSA-N 2 0 347.507 2.042 10 30 EEEERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001267152455 1178333395 /nfs/dbraw/zinc/33/33/95/1178333395.db2.gz MYYFKRJVWKOGHQ-CRAIPNDOSA-N 2 0 333.451 2.002 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001481292569 1180925389 /nfs/dbraw/zinc/92/53/89/1180925389.db2.gz OPLOFQRUGLPDBO-UHFFFAOYSA-N 2 0 349.478 2.462 10 30 EEEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001481583831 1181790430 /nfs/dbraw/zinc/79/04/30/1181790430.db2.gz LNVNJJXBGWMXCM-DBVUQKKJSA-N 2 0 341.499 2.487 10 30 EEEERP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268591285 1183391855 /nfs/dbraw/zinc/39/18/55/1183391855.db2.gz PZCLETZPVHLTLP-CNZFZVQHSA-N 2 0 325.472 2.427 10 30 EEEERP CC[C@H](C(=O)NC/C=C\C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001268619887 1183538060 /nfs/dbraw/zinc/53/80/60/1183538060.db2.gz UYWINRFTKPRFFD-OOFWQKGWSA-N 2 0 347.890 2.294 10 30 EEEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001269935852 1184728648 /nfs/dbraw/zinc/72/86/48/1184728648.db2.gz YYIQJXPBUQJKCN-INIZCTEOSA-N 2 0 327.900 2.299 10 30 EEEERP C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)CCC[NH+](C)C ZINC001269959970 1184748043 /nfs/dbraw/zinc/74/80/43/1184748043.db2.gz PHLLZZOVJCPCEV-QUCCMNQESA-N 2 0 341.499 2.349 10 30 EEEERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001270419612 1185090244 /nfs/dbraw/zinc/09/02/44/1185090244.db2.gz LFPGWIJDOIVRDH-INIZCTEOSA-N 2 0 345.462 2.003 10 30 EEEERP CC(C)C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)Cn1ccnc1 ZINC001482401094 1185614914 /nfs/dbraw/zinc/61/49/14/1185614914.db2.gz SMHOQWLNKWQAFW-GOSISDBHSA-N 2 0 339.443 2.075 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001271445933 1186232369 /nfs/dbraw/zinc/23/23/69/1186232369.db2.gz IVNTVFCEBADNQF-FXAWDEMLSA-N 2 0 341.499 2.361 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC001649097868 1193513882 /nfs/dbraw/zinc/51/38/82/1193513882.db2.gz HROFEIWOYZQQQB-LSDHHAIUSA-N 2 0 349.862 2.300 10 30 EEEERP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C2 ZINC001484391007 1191325401 /nfs/dbraw/zinc/32/54/01/1191325401.db2.gz HHQBUQRMJKPLEZ-DQCOHUIHSA-N 2 0 331.504 2.242 10 30 EEEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001484398685 1191331270 /nfs/dbraw/zinc/33/12/70/1191331270.db2.gz ILJPRLMQLXXXFA-UHFFFAOYSA-N 2 0 339.483 2.114 10 30 EEEERP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001484554472 1191412789 /nfs/dbraw/zinc/41/27/89/1191412789.db2.gz WUSDFJNXEQFQAT-LJQANCHMSA-N 2 0 327.472 2.242 10 30 EEEERP C#CC[NH+]1CCC(CCCCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001484821199 1191539975 /nfs/dbraw/zinc/53/99/75/1191539975.db2.gz PYTHXEDZNIBJFY-UHFFFAOYSA-N 2 0 333.520 2.350 10 30 EEEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001484916475 1191568932 /nfs/dbraw/zinc/56/89/32/1191568932.db2.gz SAAIQHBUPLIPAM-OAHLLOKOSA-N 2 0 325.884 2.051 10 30 EEEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001485032858 1191625461 /nfs/dbraw/zinc/62/54/61/1191625461.db2.gz MCCSDMHKZNCJEF-UHFFFAOYSA-N 2 0 333.520 2.302 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000876751194 1199755419 /nfs/dbraw/zinc/75/54/19/1199755419.db2.gz ZKPPEBIQHREKSS-UONOGXRCSA-N 2 0 325.840 2.311 10 30 EEEERP C(#CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)C[NH+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565846 1201144937 /nfs/dbraw/zinc/14/49/37/1201144937.db2.gz QWIDZIWXPZWQPP-BDXSIMOUSA-N 2 0 336.570 2.360 10 30 EEEERP C#CCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCOCC1 ZINC000886379097 1202498588 /nfs/dbraw/zinc/49/85/88/1202498588.db2.gz NQHHOXAQSPTIOY-UHFFFAOYSA-N 2 0 327.472 2.101 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCc2ccccc2)CC1 ZINC001275570279 1205421146 /nfs/dbraw/zinc/42/11/46/1205421146.db2.gz FAMTYTWSQFZCTD-ZWKOTPCHSA-N 2 0 341.499 2.057 10 30 EEEERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CC#Cc1ccc(Cl)cc1 ZINC001276001918 1205628734 /nfs/dbraw/zinc/62/87/34/1205628734.db2.gz IISNIAWWVYECBQ-WBVHZDCISA-N 2 0 347.890 2.080 10 30 EEEERP CCC[NH+]1CCC(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)CC1 ZINC000303864543 1213915814 /nfs/dbraw/zinc/91/58/14/1213915814.db2.gz BAHTXXJRVBECNY-UHFFFAOYSA-N 2 0 348.491 2.230 10 30 EEEERP CC[C@H](C(=O)N(C)CCC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001276333407 1215753837 /nfs/dbraw/zinc/75/38/37/1215753837.db2.gz SCWMRCFBFBYNCH-GOSISDBHSA-N 2 0 349.906 2.470 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000900414688 1234331903 /nfs/dbraw/zinc/33/19/03/1234331903.db2.gz JBNMTENQWBVHEL-UHFFFAOYSA-N 2 0 339.430 2.363 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001489097152 1290368594 /nfs/dbraw/zinc/36/85/94/1290368594.db2.gz UMQPVCKWHGZOOM-KBPBESRZSA-N 2 0 335.414 2.131 10 30 EEEERP C=CC[C@@]1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)CCC[NH2+]1 ZINC001118570054 1308887193 /nfs/dbraw/zinc/88/71/93/1308887193.db2.gz XXKHRJMAMVYREP-FQEVSTJZSA-N 2 0 342.487 2.384 10 30 EEEERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001265786013 1323379882 /nfs/dbraw/zinc/37/98/82/1323379882.db2.gz KKBOQEWZJIYBCV-LPHOPBHVSA-N 2 0 345.462 2.146 10 30 EEEERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001265813481 1323395177 /nfs/dbraw/zinc/39/51/77/1323395177.db2.gz RURPHAATCXKYEP-QUCCMNQESA-N 2 0 341.499 2.254 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(F)c1 ZINC001279722929 1323986410 /nfs/dbraw/zinc/98/64/10/1323986410.db2.gz PLASHXACQDVFPL-GJZGRUSLSA-N 2 0 331.435 2.038 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC(=C)Cl ZINC001492155822 1331018987 /nfs/dbraw/zinc/01/89/87/1331018987.db2.gz DDBTWWRQUMCEMH-SJORKVTESA-N 2 0 337.895 2.197 10 30 EEEERP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001316721858 1331861831 /nfs/dbraw/zinc/86/18/31/1331861831.db2.gz KNCKYFCEQQHGIN-WOJBJXKFSA-N 2 0 341.499 2.326 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001316876953 1331945416 /nfs/dbraw/zinc/94/54/16/1331945416.db2.gz DBZRDQMJFZVVJN-MJGOQNOKSA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001317414963 1332219553 /nfs/dbraw/zinc/21/95/53/1332219553.db2.gz GGEBYQNEOLUJCF-KRWDZBQOSA-N 2 0 331.504 2.316 10 30 EEEERP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001317433853 1332238259 /nfs/dbraw/zinc/23/82/59/1332238259.db2.gz FUCUVFZHTHALCM-INIZCTEOSA-N 2 0 327.900 2.442 10 30 EEEERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001319859841 1332786051 /nfs/dbraw/zinc/78/60/51/1332786051.db2.gz CBQNASRFIKSKNB-AZUAARDMSA-N 2 0 341.499 2.207 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001320110083 1332828839 /nfs/dbraw/zinc/82/88/39/1332828839.db2.gz FEPSAJJMYXZCQC-HOTGVXAUSA-N 2 0 327.900 2.394 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001323443313 1333465298 /nfs/dbraw/zinc/46/52/98/1333465298.db2.gz QQVTUXRFVHYMPU-LJQANCHMSA-N 2 0 339.483 2.149 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001326273600 1334057699 /nfs/dbraw/zinc/05/76/99/1334057699.db2.gz VNKQFGORLULEPB-ZWKOTPCHSA-N 2 0 331.504 2.102 10 30 EEEERP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001327981741 1334373611 /nfs/dbraw/zinc/37/36/11/1334373611.db2.gz IHIROXFXCNYFRP-KRWDZBQOSA-N 2 0 337.508 2.033 10 30 EEEERP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001328805918 1334525480 /nfs/dbraw/zinc/52/54/80/1334525480.db2.gz GUICNHOCTHESAN-ZWKOTPCHSA-N 2 0 333.520 2.465 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@H](C)CCC=C)C2)CC1 ZINC001330707703 1334889314 /nfs/dbraw/zinc/88/93/14/1334889314.db2.gz HHEHLUIWZCGWHF-ZHALLVOQSA-N 2 0 331.504 2.171 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001333457757 1336051264 /nfs/dbraw/zinc/05/12/64/1336051264.db2.gz MNLXJFPLYZFYQU-UHFFFAOYSA-N 2 0 340.471 2.147 10 30 EEEERP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001566877896 1342646026 /nfs/dbraw/zinc/64/60/26/1342646026.db2.gz ILAITIKKSKBELH-YJBOKZPZSA-N 2 0 325.472 2.213 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC2CCCC2)C2CC2)CC1 ZINC001660752718 1354531666 /nfs/dbraw/zinc/53/16/66/1354531666.db2.gz HCEHCANGYICSEP-UHFFFAOYSA-N 2 0 345.531 2.493 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001661192680 1354603207 /nfs/dbraw/zinc/60/32/07/1354603207.db2.gz IJADVRVLZYOCBZ-IBGZPJMESA-N 2 0 345.462 2.002 10 30 EEEERP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001662533365 1354804607 /nfs/dbraw/zinc/80/46/07/1354804607.db2.gz FYHYNVIIVGXYFO-PKOBYXMFSA-N 2 0 349.519 2.177 10 30 EEEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001662878773 1354872443 /nfs/dbraw/zinc/87/24/43/1354872443.db2.gz VWSGAVDWDGFRIF-LJQANCHMSA-N 2 0 327.472 2.308 10 30 EEEERP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001665921983 1355410415 /nfs/dbraw/zinc/41/04/15/1355410415.db2.gz ZLBRZFFCHKSPDD-KRWDZBQOSA-N 2 0 331.504 2.293 10 30 EEEERP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001667414117 1355737628 /nfs/dbraw/zinc/73/76/28/1355737628.db2.gz XBGUAVWJSZMXLZ-LJQANCHMSA-N 2 0 333.520 2.445 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001669377674 1356152553 /nfs/dbraw/zinc/15/25/53/1356152553.db2.gz YUAQLQXVNGUUTH-QAPCUYQASA-N 2 0 347.890 2.270 10 30 EEEERP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](CC2CCCC2)CC1 ZINC001671492245 1356349452 /nfs/dbraw/zinc/34/94/52/1356349452.db2.gz ULAHDENYOCHVPF-SFHVURJKSA-N 2 0 345.531 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CCC(F)(F)F)CC1 ZINC001673491978 1356696288 /nfs/dbraw/zinc/69/62/88/1356696288.db2.gz UXVQNZINNIFZFN-UHFFFAOYSA-N 2 0 347.425 2.064 10 30 EEEERP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001673650094 1356726974 /nfs/dbraw/zinc/72/69/74/1356726974.db2.gz DRXFCPFGGNFBLD-HXUWFJFHSA-N 2 0 331.504 2.200 10 30 EEEERP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCCC1 ZINC001675185111 1356943207 /nfs/dbraw/zinc/94/32/07/1356943207.db2.gz IUNZDEAYWVDADV-ROUUACIJSA-N 2 0 331.504 2.435 10 30 EEEERP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001675425847 1356978418 /nfs/dbraw/zinc/97/84/18/1356978418.db2.gz HEXXIELLFAFTTE-FQEVSTJZSA-N 2 0 349.519 2.132 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](CCC=C)C2)CC1 ZINC001691866943 1404954327 /nfs/dbraw/zinc/95/43/27/1404954327.db2.gz KFPFJRUEPWIIDR-LJQANCHMSA-N 2 0 331.504 2.221 10 30 EEEERP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001698740062 1405040063 /nfs/dbraw/zinc/04/00/63/1405040063.db2.gz XCROMBGPJIHDEK-UHFFFAOYSA-N 2 0 331.504 2.363 10 30 EEEERP C#CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941238140 780225780 /nfs/dbraw/zinc/22/57/80/780225780.db2.gz UCCDZNPPQNLYLG-SFHVURJKSA-N 2 0 327.472 2.212 10 30 EEEERP C=CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001566126940 1125575759 /nfs/dbraw/zinc/57/57/59/1125575759.db2.gz GDEUPCVMEGYFRS-AWEZNQCLSA-N 2 0 348.516 2.035 10 30 EEEERP CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001438551148 1091043238 /nfs/dbraw/zinc/04/32/38/1091043238.db2.gz YUINHYDTMNINNB-RDTXWAMCSA-N 2 0 348.466 2.125 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001439465092 1092248907 /nfs/dbraw/zinc/24/89/07/1092248907.db2.gz RLMWRZGUGNNMGM-HNNXBMFYSA-N 2 0 325.884 2.099 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001439687739 1092632632 /nfs/dbraw/zinc/63/26/32/1092632632.db2.gz SKSLUGHOMIWGNX-JKSUJKDBSA-N 2 0 327.900 2.394 10 30 EEEERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001448688794 1093751302 /nfs/dbraw/zinc/75/13/02/1093751302.db2.gz ZYDDXMQPCZDISM-BBRMVZONSA-N 2 0 334.489 2.041 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC001441831448 1095886469 /nfs/dbraw/zinc/88/64/69/1095886469.db2.gz HNNIXAKLKWRJES-YOEHRIQHSA-N 2 0 346.450 2.117 10 30 EEEERP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001479610217 1098632154 /nfs/dbraw/zinc/63/21/54/1098632154.db2.gz BYIDIZGCSOZBDG-RLLQIKCJSA-N 2 0 345.531 2.491 10 30 EEEERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001444829364 1099776780 /nfs/dbraw/zinc/77/67/80/1099776780.db2.gz QZQNWMFUYPENGV-YOEHRIQHSA-N 2 0 348.516 2.288 10 30 EEEERP CCC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480576085 1100421780 /nfs/dbraw/zinc/42/17/80/1100421780.db2.gz ZRGPNSMPFNDPHX-INIZCTEOSA-N 2 0 333.451 2.003 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001496717988 1101332331 /nfs/dbraw/zinc/33/23/31/1101332331.db2.gz GNIXRFYWCJSJHW-FQEVSTJZSA-N 2 0 341.499 2.291 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497253229 1102196575 /nfs/dbraw/zinc/19/65/75/1102196575.db2.gz QDSGFQSSMGUMDO-YJBOKZPZSA-N 2 0 328.460 2.027 10 30 EEEERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001447870825 1103483581 /nfs/dbraw/zinc/48/35/81/1103483581.db2.gz QQCILKAESUUANI-KBPBESRZSA-N 2 0 346.450 2.164 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)Cc2ccccc2C#N)C1 ZINC001494179008 1103654503 /nfs/dbraw/zinc/65/45/03/1103654503.db2.gz OUAWOXLEWQYOJH-QGZVFWFLSA-N 2 0 342.487 2.179 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001494792130 1104375095 /nfs/dbraw/zinc/37/50/95/1104375095.db2.gz IIVQGDOTCDGSKS-IEBWSBKVSA-N 2 0 333.520 2.204 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480597328 1106735882 /nfs/dbraw/zinc/73/58/82/1106735882.db2.gz OXRIAXGVSGPDPN-QFBILLFUSA-N 2 0 345.462 2.146 10 30 EEEERP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001480703837 1106919929 /nfs/dbraw/zinc/91/99/29/1106919929.db2.gz VQOWJENUTCCFII-HOTGVXAUSA-N 2 0 339.443 2.474 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCN1CC#Cc1ccccc1 ZINC001498998709 1108435257 /nfs/dbraw/zinc/43/52/57/1108435257.db2.gz QNAMTVCHPXCXMN-UXHICEINSA-N 2 0 339.483 2.103 10 30 EEEERP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](C/C=C\Cl)CC1 ZINC001500048369 1112592336 /nfs/dbraw/zinc/59/23/36/1112592336.db2.gz JDGOKMMHXXFNHS-POHAHGRESA-N 2 0 325.884 2.007 10 30 EEEERP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001501669029 1113425069 /nfs/dbraw/zinc/42/50/69/1113425069.db2.gz YDCZGRBGIBRGDM-LJQANCHMSA-N 2 0 329.488 2.344 10 30 EEEERP CC#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001502404833 1113669925 /nfs/dbraw/zinc/66/99/25/1113669925.db2.gz NXHREIUFQVNNHR-RTBURBONSA-N 2 0 333.520 2.302 10 30 EEEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001505396931 1113934309 /nfs/dbraw/zinc/93/43/09/1113934309.db2.gz WLPRTDBGDOVUKH-IBGZPJMESA-N 2 0 333.520 2.443 10 30 EEEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001568285827 1124405395 /nfs/dbraw/zinc/40/53/95/1124405395.db2.gz PISSSKZUBJARHH-OAHLLOKOSA-N 2 0 327.432 2.284 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001568969601 1125007222 /nfs/dbraw/zinc/00/72/22/1125007222.db2.gz MWULCKRXEBHKCL-ARJAWSKDSA-N 2 0 343.515 2.174 10 30 EEEERP CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCN(C3CC3)CC1)C2 ZINC000329298530 465292063 /nfs/dbraw/zinc/29/20/63/465292063.db2.gz ULACCYGJPRUOFQ-AWEZNQCLSA-N 2 0 345.491 2.189 10 30 EEEERP COC[C@@H]1CCCC[NH+](CC#CC[N@H+]2CCCC[C@@H](COC)C2)C1 ZINC000366959277 466041813 /nfs/dbraw/zinc/04/18/13/466041813.db2.gz DGQLZFSVNOWGHS-WOJBJXKFSA-N 2 0 336.520 2.487 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000594439390 468587554 /nfs/dbraw/zinc/58/75/54/468587554.db2.gz VHRNLWZLZSXSEK-ZWKOTPCHSA-N 2 0 328.460 2.178 10 30 EEEERP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1(C)C ZINC000594936031 468725552 /nfs/dbraw/zinc/72/55/52/468725552.db2.gz GTVVOVLVWLMIOG-UHFFFAOYSA-N 2 0 326.488 2.357 10 30 EEEERP N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCOCC1 ZINC000599335349 469215478 /nfs/dbraw/zinc/21/54/78/469215478.db2.gz SVHYGLGEZKKCOX-NZSAHSFTSA-N 2 0 347.503 2.006 10 30 EEEERP C=CC[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CCC[NH2+]1 ZINC000639001373 470353372 /nfs/dbraw/zinc/35/33/72/470353372.db2.gz KDLYQYYPRCLYJT-ICSRJNTNSA-N 2 0 327.472 2.384 10 30 EEEERP C#CCN(C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000914314352 683481186 /nfs/dbraw/zinc/48/11/86/683481186.db2.gz RZFKDXHTHCANNP-YLJYHZDGSA-N 2 0 348.535 2.236 10 30 EEEERP C=C(Cl)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001485652824 1191871333 /nfs/dbraw/zinc/87/13/33/1191871333.db2.gz GHFZFLXIMNHYBH-ARFHVFGLSA-N 2 0 339.911 2.440 10 30 EEEERP C=CC[NH2+][C@H](CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001485786151 1191952018 /nfs/dbraw/zinc/95/20/18/1191952018.db2.gz CPJJJTFJPUZZBO-MRXNPFEDSA-N 2 0 327.432 2.187 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001691308925 1177879553 /nfs/dbraw/zinc/87/95/53/1177879553.db2.gz IRFBUHWJIAFLMA-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cc(C#N)ccc1F ZINC001267372172 1178874408 /nfs/dbraw/zinc/87/44/08/1178874408.db2.gz IEQIECZMCVEHCF-GOSISDBHSA-N 2 0 346.450 2.118 10 30 EEEERP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268067274 1181660730 /nfs/dbraw/zinc/66/07/30/1181660730.db2.gz SNIFRWBXKPMZRW-MJGOQNOKSA-N 2 0 347.478 2.155 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CCCn1ccnc1C ZINC001268166069 1181902791 /nfs/dbraw/zinc/90/27/91/1181902791.db2.gz JFKOKZGDSYTFLY-SFHVURJKSA-N 2 0 330.476 2.356 10 30 EEEERP C=C(Br)C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001268499310 1183029191 /nfs/dbraw/zinc/02/91/91/1183029191.db2.gz JKHCJPIDRNMKBK-CQSZACIVSA-N 2 0 346.313 2.208 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001481984433 1183087171 /nfs/dbraw/zinc/08/71/71/1183087171.db2.gz MDRYJYYDSUSJSO-RBUKOAKNSA-N 2 0 333.520 2.350 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccnc1C(C)C ZINC001268769993 1183688655 /nfs/dbraw/zinc/68/86/55/1183688655.db2.gz FBUKJJIZKLCLJH-IRXDYDNUSA-N 2 0 330.476 2.294 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001269621943 1184447447 /nfs/dbraw/zinc/44/74/47/1184447447.db2.gz VHYSFIXEZPMEIT-LJQANCHMSA-N 2 0 331.504 2.195 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001270075144 1184829876 /nfs/dbraw/zinc/82/98/76/1184829876.db2.gz AQHQPFXUOCNXRB-UHFFFAOYSA-N 2 0 329.488 2.394 10 30 EEEERP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001270517373 1185142838 /nfs/dbraw/zinc/14/28/38/1185142838.db2.gz OZUSRWAXAZXRAF-QAPCUYQASA-N 2 0 349.906 2.374 10 30 EEEERP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001271439581 1186226388 /nfs/dbraw/zinc/22/63/88/1186226388.db2.gz SSPODFZBJMKFIF-LJQANCHMSA-N 2 0 345.531 2.302 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001482665312 1187543748 /nfs/dbraw/zinc/54/37/48/1187543748.db2.gz JGHPPFQPIREMIM-MOPGFXCFSA-N 2 0 331.504 2.199 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)CC1CC[NH+](C)CC1 ZINC001482877266 1187796411 /nfs/dbraw/zinc/79/64/11/1187796411.db2.gz OEFGUSOQWOJFJP-CQSZACIVSA-N 2 0 348.516 2.336 10 30 EEEERP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1cn2c(n1)CCCC2 ZINC001272259794 1189364014 /nfs/dbraw/zinc/36/40/14/1189364014.db2.gz CRFXWTJQUWQWKU-WBVHZDCISA-N 2 0 330.476 2.213 10 30 EEEERP CN(CCC[NH2+]Cc1cc(F)ccc1C#N)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001483475914 1190497388 /nfs/dbraw/zinc/49/73/88/1190497388.db2.gz ZHXJVOOVPCHQKU-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C=C(Br)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001409835925 1190667190 /nfs/dbraw/zinc/66/71/90/1190667190.db2.gz VZJIFIWUEBTXMR-KBPBESRZSA-N 2 0 346.313 2.254 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001483741869 1190891442 /nfs/dbraw/zinc/89/14/42/1190891442.db2.gz DALGOCUHTYHVSZ-LJQANCHMSA-N 2 0 339.483 2.151 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001272650982 1190960296 /nfs/dbraw/zinc/96/02/96/1190960296.db2.gz AVXBCDUDTSXJEP-KRWDZBQOSA-N 2 0 327.472 2.213 10 30 EEEERP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001483809570 1191054638 /nfs/dbraw/zinc/05/46/38/1191054638.db2.gz PCKZBCJCRSHZEY-IKGGRYGDSA-N 2 0 325.472 2.308 10 30 EEEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001483948452 1191127600 /nfs/dbraw/zinc/12/76/00/1191127600.db2.gz VUCWYBHWDZQUHG-AQNXPRMDSA-N 2 0 341.499 2.489 10 30 EEEERP C#CC[NH+]1CCC(C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001484140144 1191230264 /nfs/dbraw/zinc/23/02/64/1191230264.db2.gz OMZUJKLODDGSJY-UHFFFAOYSA-N 2 0 333.520 2.350 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001485217474 1191689506 /nfs/dbraw/zinc/68/95/06/1191689506.db2.gz SCPAIUALYOQSTN-KGLIPLIRSA-N 2 0 334.439 2.022 10 30 EEEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)(C)C ZINC001486412399 1193921685 /nfs/dbraw/zinc/92/16/85/1193921685.db2.gz WFLHMIIRGXYHHT-DNVCBOLYSA-N 2 0 339.499 2.343 10 30 EEEERP C=CCC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC001486452728 1193974268 /nfs/dbraw/zinc/97/42/68/1193974268.db2.gz NNZCLJSZRLHCPO-KBPBESRZSA-N 2 0 347.425 2.416 10 30 EEEERP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001486453408 1193975129 /nfs/dbraw/zinc/97/51/29/1193975129.db2.gz ZKUHWHAMVKBJLF-LSDHHAIUSA-N 2 0 347.425 2.111 10 30 EEEERP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCC1 ZINC001273180606 1197370091 /nfs/dbraw/zinc/37/00/91/1197370091.db2.gz UBLDJWILEJQGNW-UHFFFAOYSA-N 2 0 327.472 2.008 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000876718187 1199736595 /nfs/dbraw/zinc/73/65/95/1199736595.db2.gz NBIZNEHNEADEGX-KRWDZBQOSA-N 2 0 335.879 2.499 10 30 EEEERP C=CC[N@@H+](CCCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1)C(C)C ZINC001691727638 1204233487 /nfs/dbraw/zinc/23/34/87/1204233487.db2.gz UOZZHLVAQMOXBW-QGZVFWFLSA-N 2 0 333.480 2.193 10 30 EEEERP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001274855105 1205188486 /nfs/dbraw/zinc/18/84/86/1205188486.db2.gz CGZHODSDKKQHAO-YLJYHZDGSA-N 2 0 339.483 2.067 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1CC ZINC001276760552 1297508829 /nfs/dbraw/zinc/50/88/29/1297508829.db2.gz INHPLHXZJCCAAO-UYAOXDASSA-N 2 0 345.531 2.348 10 30 EEEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001491171155 1299650858 /nfs/dbraw/zinc/65/08/58/1299650858.db2.gz YZHACBGYHLVONH-MJGOQNOKSA-N 2 0 331.504 2.245 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1CC ZINC001278974633 1318892259 /nfs/dbraw/zinc/89/22/59/1318892259.db2.gz BCAIHFSBBVKFNG-IBGZPJMESA-N 2 0 327.472 2.115 10 30 EEEERP CC#CC[N@H+](CCCNC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001265184199 1322974195 /nfs/dbraw/zinc/97/41/95/1322974195.db2.gz UHBMUDKVNZTRRW-UHFFFAOYSA-N 2 0 327.472 2.356 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001265663059 1323306025 /nfs/dbraw/zinc/30/60/25/1323306025.db2.gz CUOGQWYMSJYGGB-WOJBJXKFSA-N 2 0 339.483 2.103 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CC=C(C)C)C2)CC1 ZINC001280308952 1324152442 /nfs/dbraw/zinc/15/24/42/1324152442.db2.gz XWLPXNIISAJBNM-GOSISDBHSA-N 2 0 331.504 2.126 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@H](C)C1 ZINC001281682679 1325398948 /nfs/dbraw/zinc/39/89/48/1325398948.db2.gz LMCRWHVWYGOZCS-QUCCMNQESA-N 2 0 341.499 2.347 10 30 EEEERP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001283260182 1325976376 /nfs/dbraw/zinc/97/63/76/1325976376.db2.gz MEYMWEVHWXBREZ-APWZRJJASA-N 2 0 342.487 2.275 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001284199951 1326457437 /nfs/dbraw/zinc/45/74/37/1326457437.db2.gz YJASOULOZWGLPR-ROUUACIJSA-N 2 0 333.520 2.396 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001284199953 1326457463 /nfs/dbraw/zinc/45/74/63/1326457463.db2.gz YJASOULOZWGLPR-ZWKOTPCHSA-N 2 0 333.520 2.396 10 30 EEEERP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001284794686 1326718291 /nfs/dbraw/zinc/71/82/91/1326718291.db2.gz KLVFZTCKPJNMPW-DAWZGUTISA-N 2 0 337.508 2.031 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC001316805065 1331901866 /nfs/dbraw/zinc/90/18/66/1331901866.db2.gz MCDJUNWFUFSJTB-IBGZPJMESA-N 2 0 336.439 2.432 10 30 EEEERP C#CCC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCCC1 ZINC001319374307 1332691924 /nfs/dbraw/zinc/69/19/24/1332691924.db2.gz GGFFNJLADLWZFU-LJQANCHMSA-N 2 0 337.483 2.241 10 30 EEEERP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001320189375 1332846123 /nfs/dbraw/zinc/84/61/23/1332846123.db2.gz PLCXCAUBUFQHFP-NVXWUHKLSA-N 2 0 331.460 2.243 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001325453968 1333889290 /nfs/dbraw/zinc/88/92/90/1333889290.db2.gz COHCAYHCEPQPRG-UYAOXDASSA-N 2 0 341.499 2.207 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001330171247 1334794074 /nfs/dbraw/zinc/79/40/74/1334794074.db2.gz QYSANWSJQGBZMC-FQEVSTJZSA-N 2 0 349.519 2.132 10 30 EEEERP C#CCC[NH2+]CCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001331177437 1334976328 /nfs/dbraw/zinc/97/63/28/1334976328.db2.gz UQQGCELGCFQMMH-OALUTQOASA-N 2 0 327.472 2.189 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001333080953 1335959467 /nfs/dbraw/zinc/95/94/67/1335959467.db2.gz CXNZSENDQYJPPG-MHJFOBGBSA-N 2 0 341.499 2.203 10 30 EEEERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccccc1 ZINC001667458613 1355745128 /nfs/dbraw/zinc/74/51/28/1355745128.db2.gz MRPIFJJRHYYOAH-RLLQIKCJSA-N 2 0 341.499 2.109 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668214030 1355901079 /nfs/dbraw/zinc/90/10/79/1355901079.db2.gz HOKMSDPXIZKMHY-SJORKVTESA-N 2 0 345.462 2.003 10 30 EEEERP C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CC(=C)C)CC1 ZINC001569593809 1342904894 /nfs/dbraw/zinc/90/48/94/1342904894.db2.gz LYHIPMTVVJGVFX-UHFFFAOYSA-N 2 0 331.504 2.221 10 30 EEEERP CC#CC[N@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001676082940 1357102678 /nfs/dbraw/zinc/10/26/78/1357102678.db2.gz YLZLQKPLTHXQFN-UHFFFAOYSA-N 2 0 327.472 2.308 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001570553417 1343084274 /nfs/dbraw/zinc/08/42/74/1343084274.db2.gz OJOYXPFXWOANGA-LJQANCHMSA-N 2 0 345.531 2.302 10 30 EEEERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001662394585 1354790259 /nfs/dbraw/zinc/79/02/59/1354790259.db2.gz LYYPSOBDYNJVIG-CRAIPNDOSA-N 2 0 349.906 2.372 10 30 EEEERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001662970706 1354881907 /nfs/dbraw/zinc/88/19/07/1354881907.db2.gz LLCYHFZKVJNKML-OAHLLOKOSA-N 2 0 335.879 2.128 10 30 EEEERP C#CC[NH2+]C[C@]1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC[C@@H]1C ZINC001666061663 1355437168 /nfs/dbraw/zinc/43/71/68/1355437168.db2.gz JDLUNLWUFTXWQA-FXAWDEMLSA-N 2 0 333.520 2.395 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001666151853 1355468000 /nfs/dbraw/zinc/46/80/00/1355468000.db2.gz KGYMGVPQGHEXIK-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC[NH2+]CC(C)C)CC2)CC1 ZINC001666263429 1355499538 /nfs/dbraw/zinc/49/95/38/1355499538.db2.gz UGVCJZJZRNGXCM-UHFFFAOYSA-N 2 0 333.520 2.206 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCC=C)C3)CC1 ZINC001672170477 1356473102 /nfs/dbraw/zinc/47/31/02/1356473102.db2.gz HDRCIYJPBWWIOS-SXLOBPIMSA-N 2 0 343.515 2.267 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001672299260 1356496483 /nfs/dbraw/zinc/49/64/83/1356496483.db2.gz FAOCMIYWNSQTIX-ZWKOTPCHSA-N 2 0 333.520 2.206 10 30 EEEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001672929697 1356617242 /nfs/dbraw/zinc/61/72/42/1356617242.db2.gz PUKNBEMJUIXPIB-VQTJNVASSA-N 2 0 339.483 2.385 10 30 EEEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001674352678 1356823330 /nfs/dbraw/zinc/82/33/30/1356823330.db2.gz GRPBGASYNYJXPM-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP CC#CC[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCCC1 ZINC001698798148 1405073577 /nfs/dbraw/zinc/07/35/77/1405073577.db2.gz YIHBUAGSPIUAKW-UHFFFAOYSA-N 2 0 333.501 2.465 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699034670 1405243283 /nfs/dbraw/zinc/24/32/83/1405243283.db2.gz PNFXZRPJDNIQHF-OALUTQOASA-N 2 0 331.504 2.006 10 30 EEEERP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001699688577 1405441277 /nfs/dbraw/zinc/44/12/77/1405441277.db2.gz GGCAJTOTFVGDNU-LJQANCHMSA-N 2 0 333.520 2.299 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC3=CCCCC3)[C@@H](C)C2)CC1 ZINC000939813274 777430676 /nfs/dbraw/zinc/43/06/76/777430676.db2.gz YQORSMYFRDIKEN-PXNSSMCTSA-N 2 0 343.515 2.269 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000907739344 784819272 /nfs/dbraw/zinc/81/92/72/784819272.db2.gz SOBVIWHZVRQQRP-GOSISDBHSA-N 2 0 347.528 2.228 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000908501968 785486778 /nfs/dbraw/zinc/48/67/78/785486778.db2.gz LNMCMHMJEUEYAZ-UHFFFAOYSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[C@H](COC)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001179291157 799848413 /nfs/dbraw/zinc/84/84/13/799848413.db2.gz KIZCYFWXRREPIQ-CQSZACIVSA-N 2 0 340.370 2.198 10 30 EEEERP CC[C@H](C(=O)NC1CCC([NH2+]Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001437091281 1089045080 /nfs/dbraw/zinc/04/50/80/1089045080.db2.gz OKFOQVHHKBCNOW-CTWPCTMYSA-N 2 0 342.487 2.415 10 30 EEEERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437169998 1089191998 /nfs/dbraw/zinc/19/19/98/1089191998.db2.gz WGMVWULKVWAKQN-YOEHRIQHSA-N 2 0 346.450 2.166 10 30 EEEERP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001438310193 1090787928 /nfs/dbraw/zinc/78/79/28/1090787928.db2.gz JELNBVGICPDOEA-LSDHHAIUSA-N 2 0 348.516 2.479 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001445381559 1091123725 /nfs/dbraw/zinc/12/37/25/1091123725.db2.gz WKJOPQNSYUAQBR-CRAIPNDOSA-N 2 0 328.460 2.027 10 30 EEEERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC001439641043 1092563418 /nfs/dbraw/zinc/56/34/18/1092563418.db2.gz UNFLKMRWQNOZQL-YJBOKZPZSA-N 2 0 340.471 2.027 10 30 EEEERP C[C@H]([NH2+]Cc1cccc(C#N)c1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001443123208 1097543388 /nfs/dbraw/zinc/54/33/88/1097543388.db2.gz NHFBXDUNWMHXSP-INIZCTEOSA-N 2 0 342.487 2.227 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001479835100 1099118314 /nfs/dbraw/zinc/11/83/14/1099118314.db2.gz UNCWXSNRALYDQE-LPHOPBHVSA-N 2 0 327.472 2.354 10 30 EEEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001479982252 1099437656 /nfs/dbraw/zinc/43/76/56/1099437656.db2.gz VMVNAKDXEHBRHM-ROUUACIJSA-N 2 0 331.504 2.265 10 30 EEEERP CCC[N@H+](C)CC(=O)NC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001480058673 1099580106 /nfs/dbraw/zinc/58/01/06/1099580106.db2.gz RQYCRMKCMLPOGB-LJQANCHMSA-N 2 0 345.462 2.003 10 30 EEEERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001480173672 1099753778 /nfs/dbraw/zinc/75/37/78/1099753778.db2.gz MUKDAZPFQRXRRZ-MXVIHJGJSA-N 2 0 339.483 2.151 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001480362018 1100134953 /nfs/dbraw/zinc/13/49/53/1100134953.db2.gz YIUXPPCWNAMQSO-FQEVSTJZSA-N 2 0 341.499 2.155 10 30 EEEERP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480576086 1100421607 /nfs/dbraw/zinc/42/16/07/1100421607.db2.gz ZRGPNSMPFNDPHX-MRXNPFEDSA-N 2 0 333.451 2.003 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]Cc2ccccc2)CC1 ZINC001495146049 1100816588 /nfs/dbraw/zinc/81/65/88/1100816588.db2.gz UXTRIFJHASLROK-LJQANCHMSA-N 2 0 327.472 2.016 10 30 EEEERP CC(C)C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496297259 1100884145 /nfs/dbraw/zinc/88/41/45/1100884145.db2.gz UATFXEHACXJFGL-RTBURBONSA-N 2 0 342.487 2.130 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001497184509 1102088940 /nfs/dbraw/zinc/08/89/40/1102088940.db2.gz AHZWKIYANHJAPW-AZUAARDMSA-N 2 0 341.499 2.395 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CCCCC)C2)CC1 ZINC001494179873 1103655690 /nfs/dbraw/zinc/65/56/90/1103655690.db2.gz VZZWYARIPLUVNS-GOSISDBHSA-N 2 0 333.520 2.302 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccc(C)cc2)CC1 ZINC001498455736 1107562269 /nfs/dbraw/zinc/56/22/69/1107562269.db2.gz JRVKEOKUFNDFKA-SFHVURJKSA-N 2 0 341.499 2.277 10 30 EEEERP C#CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC2CCC2)CC1 ZINC001500037649 1112588317 /nfs/dbraw/zinc/58/83/17/1112588317.db2.gz KFXRISBUZBLBEW-HXUWFJFHSA-N 2 0 343.515 2.055 10 30 EEEERP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001500048832 1112592854 /nfs/dbraw/zinc/59/28/54/1112592854.db2.gz WDPVZKQFEBTLOX-INIZCTEOSA-N 2 0 337.483 2.003 10 30 EEEERP C=CCC[NH+]1CCC(N(Cc2ccccn2)C(=O)CC[NH+](C)C)CC1 ZINC001501203104 1113240138 /nfs/dbraw/zinc/24/01/38/1113240138.db2.gz OOLOAIJARZZOHI-UHFFFAOYSA-N 2 0 344.503 2.402 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001501617893 1113401291 /nfs/dbraw/zinc/40/12/91/1113401291.db2.gz GJELXLAVMJKWKH-VQIMIIECSA-N 2 0 337.483 2.050 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001506907722 1114964660 /nfs/dbraw/zinc/96/46/60/1114964660.db2.gz WYOQEUUIWPYNDD-JCNLHEQBSA-N 2 0 346.450 2.022 10 30 EEEERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001507156297 1115138467 /nfs/dbraw/zinc/13/84/67/1115138467.db2.gz XADMUFZGWAAIIL-RDJZCZTQSA-N 2 0 347.890 2.080 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001507358791 1115219953 /nfs/dbraw/zinc/21/99/53/1115219953.db2.gz VGQNOZCIHWKXNU-IPMKNSEASA-N 2 0 345.531 2.491 10 30 EEEERP CC#CC[NH2+][C@H](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccccc1 ZINC001507390444 1115247052 /nfs/dbraw/zinc/24/70/52/1115247052.db2.gz VSPLFNGUEFHBFP-LJQANCHMSA-N 2 0 341.499 2.201 10 30 EEEERP CC#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)CC1(C)C ZINC001507445551 1115273518 /nfs/dbraw/zinc/27/35/18/1115273518.db2.gz FBTDBGVXMAUJMT-IBGZPJMESA-N 2 0 341.499 2.011 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001568094844 1124299009 /nfs/dbraw/zinc/29/90/09/1124299009.db2.gz QKHHRZOCEJGKKU-RTBURBONSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001569302733 1125219073 /nfs/dbraw/zinc/21/90/73/1125219073.db2.gz AZSIPQMSYUSNEL-MJGOQNOKSA-N 2 0 331.504 2.149 10 30 EEEERP C[NH+]1CCC(O)(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271075877 464279422 /nfs/dbraw/zinc/27/94/22/464279422.db2.gz OEYUJBXNTGJUBZ-UHFFFAOYSA-N 2 0 327.472 2.437 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C(C)C ZINC000417070010 466770425 /nfs/dbraw/zinc/77/04/25/466770425.db2.gz UZNSLGDADPXDEG-RCCFBDPRSA-N 2 0 334.508 2.078 10 30 EEEERP C=CC[C@]1(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662748422 472234004 /nfs/dbraw/zinc/23/40/04/472234004.db2.gz TVORXXXJYANYRX-YVWKXTFCSA-N 2 0 327.472 2.464 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001485695858 1191903181 /nfs/dbraw/zinc/90/31/81/1191903181.db2.gz PCNAFMAMKFGEQR-SAABIXHNSA-N 2 0 347.890 2.128 10 30 EEEERP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001691159905 1177656072 /nfs/dbraw/zinc/65/60/72/1177656072.db2.gz NOLVJIXYVNQMPB-LJQANCHMSA-N 2 0 329.488 2.175 10 30 EEEERP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691402257 1178010855 /nfs/dbraw/zinc/01/08/55/1178010855.db2.gz ITMXBKFKZIFQFB-YJBOKZPZSA-N 2 0 325.472 2.308 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)C/C=C\Cl)C2)CC1 ZINC001267115500 1178277947 /nfs/dbraw/zinc/27/79/47/1178277947.db2.gz VJCHPLCQEILJLD-OOYWPUHTSA-N 2 0 337.895 2.007 10 30 EEEERP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001267476356 1179113071 /nfs/dbraw/zinc/11/30/71/1179113071.db2.gz ZZGAERNBTUNIFF-MOPGFXCFSA-N 2 0 333.520 2.445 10 30 EEEERP C[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCCCC1 ZINC001481287798 1180869805 /nfs/dbraw/zinc/86/98/05/1180869805.db2.gz OBNGKJIZFNMVEE-KRWDZBQOSA-N 2 0 342.487 2.371 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@@H+](CCC(C)C)C2)CC1 ZINC001481462676 1181465320 /nfs/dbraw/zinc/46/53/20/1181465320.db2.gz VARFDKPOFZSZIC-SFHVURJKSA-N 2 0 333.520 2.206 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CCC(C)C)C2)CC1 ZINC001481507566 1181592873 /nfs/dbraw/zinc/59/28/73/1181592873.db2.gz BPGWHXQYNSNGTM-GOSISDBHSA-N 2 0 333.520 2.158 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001268153035 1181843165 /nfs/dbraw/zinc/84/31/65/1181843165.db2.gz BSYZWKYRHLQJJT-IAGOWNOFSA-N 2 0 325.472 2.050 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC#Cc1ccccc1 ZINC001481811505 1182739809 /nfs/dbraw/zinc/73/98/09/1182739809.db2.gz TUMNFFURNIRUBI-VQTJNVASSA-N 2 0 341.499 2.395 10 30 EEEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268550553 1183234385 /nfs/dbraw/zinc/23/43/85/1183234385.db2.gz QLNIXIRXYKMBRP-AWFCHZOYSA-N 2 0 325.884 2.408 10 30 EEEERP C=CCOCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001268763415 1183678530 /nfs/dbraw/zinc/67/85/30/1183678530.db2.gz LSZLDFQJWJUIIM-ROUUACIJSA-N 2 0 349.519 2.082 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CC(C)(C)C2)C2CC2)CC1 ZINC001269149653 1184003231 /nfs/dbraw/zinc/00/32/31/1184003231.db2.gz SZXPORRFFBBBSD-IBGZPJMESA-N 2 0 345.531 2.252 10 30 EEEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)CC1 ZINC001269416006 1184251816 /nfs/dbraw/zinc/25/18/16/1184251816.db2.gz NWVNOZRRQGRTCP-WMLDXEAASA-N 2 0 345.491 2.383 10 30 EEEERP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001269552406 1184378946 /nfs/dbraw/zinc/37/89/46/1184378946.db2.gz CGARBXQATXIUBY-RBUKOAKNSA-N 2 0 333.520 2.465 10 30 EEEERP CC#CC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001482232382 1184410744 /nfs/dbraw/zinc/41/07/44/1184410744.db2.gz ILXPAJBWGMSMCN-UHFFFAOYSA-N 2 0 327.472 2.404 10 30 EEEERP C[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)CCC[NH+](C)C ZINC001269959969 1184747837 /nfs/dbraw/zinc/74/78/37/1184747837.db2.gz PHLLZZOVJCPCEV-ICSRJNTNSA-N 2 0 341.499 2.349 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC2=CCCCC2)CC1 ZINC001270605216 1185200210 /nfs/dbraw/zinc/20/02/10/1185200210.db2.gz XABPIPOEINOWBR-KRWDZBQOSA-N 2 0 331.504 2.174 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691517088 1185620247 /nfs/dbraw/zinc/62/02/47/1185620247.db2.gz BZNNTBCUZSGRBP-LNLFQRSKSA-N 2 0 331.504 2.291 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001271534831 1186294938 /nfs/dbraw/zinc/29/49/38/1186294938.db2.gz OILVHVRRWWCOCQ-DLBZAZTESA-N 2 0 339.911 2.442 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CC(CC)CC)C2)CC1 ZINC001271713059 1186388388 /nfs/dbraw/zinc/38/83/88/1186388388.db2.gz XBOFTFKKRTYJGL-PXNSSMCTSA-N 2 0 347.547 2.452 10 30 EEEERP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001670923899 1193528164 /nfs/dbraw/zinc/52/81/64/1193528164.db2.gz REWITUBQDIVXRE-MOPGFXCFSA-N 2 0 333.520 2.445 10 30 EEEERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001483023206 1188012705 /nfs/dbraw/zinc/01/27/05/1188012705.db2.gz WORNVMICERHUEN-QWNKOJSDSA-N 2 0 346.450 2.046 10 30 EEEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001670989217 1193539412 /nfs/dbraw/zinc/53/94/12/1193539412.db2.gz MNFBLXUUBGKCCA-HNNXBMFYSA-N 2 0 330.476 2.477 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001483471845 1190494139 /nfs/dbraw/zinc/49/41/39/1190494139.db2.gz WAGBSBIPUXLLOH-SFHVURJKSA-N 2 0 330.476 2.083 10 30 EEEERP C[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001486120518 1193687562 /nfs/dbraw/zinc/68/75/62/1193687562.db2.gz CBQIWRXYHWNFHV-DOTOQJQBSA-N 2 0 347.890 2.222 10 30 EEEERP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001486124405 1193688761 /nfs/dbraw/zinc/68/87/61/1193688761.db2.gz PCTAUBVIFJOJHC-VQIMIIECSA-N 2 0 327.472 2.007 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001483989440 1191144500 /nfs/dbraw/zinc/14/45/00/1191144500.db2.gz JTRQRMAHSSRAMF-LJQANCHMSA-N 2 0 339.483 2.065 10 30 EEEERP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+](C)C ZINC001485005008 1191611727 /nfs/dbraw/zinc/61/17/27/1191611727.db2.gz UZIXWLLNMWPRDU-LJQANCHMSA-N 2 0 327.472 2.067 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485156290 1191668270 /nfs/dbraw/zinc/66/82/70/1191668270.db2.gz GITVHTGCXKKYQF-KGLIPLIRSA-N 2 0 346.450 2.164 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001485217475 1191689753 /nfs/dbraw/zinc/68/97/53/1191689753.db2.gz SCPAIUALYOQSTN-UONOGXRCSA-N 2 0 334.439 2.022 10 30 EEEERP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)CC[NH+](C)C ZINC001485258830 1191714043 /nfs/dbraw/zinc/71/40/43/1191714043.db2.gz DDDBCHJFVCWDKF-UHFFFAOYSA-N 2 0 348.466 2.223 10 30 EEEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001279180496 1198403656 /nfs/dbraw/zinc/40/36/56/1198403656.db2.gz DVILDYUTCMYQRP-ZIAGYGMSSA-N 2 0 335.414 2.273 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000876709043 1199733002 /nfs/dbraw/zinc/73/30/02/1199733002.db2.gz HSXYSEOYOZLWJJ-OLZOCXBDSA-N 2 0 327.881 2.471 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000876780418 1199770755 /nfs/dbraw/zinc/77/07/55/1199770755.db2.gz UYIKSNMZDQURKL-CQSZACIVSA-N 2 0 336.867 2.237 10 30 EEEERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1C[NH+](C)C ZINC000870021394 1200411858 /nfs/dbraw/zinc/41/18/58/1200411858.db2.gz FCNYNMCUNFBOSG-HZPDHXFCSA-N 2 0 348.878 2.023 10 30 EEEERP C#CCN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)C1CC[NH+](C)CC1 ZINC000886570994 1202525101 /nfs/dbraw/zinc/52/51/01/1202525101.db2.gz FJFLDKMPYQZKCP-UHFFFAOYSA-N 2 0 343.471 2.435 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000886579603 1202526816 /nfs/dbraw/zinc/52/68/16/1202526816.db2.gz AIMXPMILBDRKCY-QGZVFWFLSA-N 2 0 331.504 2.197 10 30 EEEERP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001274345684 1205006383 /nfs/dbraw/zinc/00/63/83/1205006383.db2.gz XYFJVICUVKPDJK-ZWKOTPCHSA-N 2 0 349.519 2.177 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001275190437 1205278168 /nfs/dbraw/zinc/27/81/68/1205278168.db2.gz UKNYLIRAWKQNLP-YJBOKZPZSA-N 2 0 349.906 2.372 10 30 EEEERP N#Cc1ccc(N2CCC([NH2+]C[C@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000925774489 1206152937 /nfs/dbraw/zinc/15/29/37/1206152937.db2.gz APOQXAUAKHJGEM-OAHLLOKOSA-N 2 0 334.414 2.361 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000928653182 1206407946 /nfs/dbraw/zinc/40/79/46/1206407946.db2.gz CDEVPPUUBQHPIK-FQEVSTJZSA-N 2 0 339.483 2.080 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273752938 1284818225 /nfs/dbraw/zinc/81/82/25/1284818225.db2.gz MRSCGNUEYUIAKS-QGZVFWFLSA-N 2 0 347.890 2.081 10 30 EEEERP C[C@@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000852865516 1292220670 /nfs/dbraw/zinc/22/06/70/1292220670.db2.gz GBUMYLYOOOATMD-XLIONFOSSA-N 2 0 339.483 2.159 10 30 EEEERP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001276821269 1298785996 /nfs/dbraw/zinc/78/59/96/1298785996.db2.gz SGLKTQKEALLJME-VQIMIIECSA-N 2 0 345.487 2.143 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001276921096 1300269994 /nfs/dbraw/zinc/26/99/94/1300269994.db2.gz HJUFVCRLQLIHIC-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001278588646 1317285562 /nfs/dbraw/zinc/28/55/62/1317285562.db2.gz FKPUYDVGUNPCIK-LJQANCHMSA-N 2 0 331.460 2.196 10 30 EEEERP CN(CCC[N@H+](C)CC#Cc1ccccc1)C(=O)C[NH+](C)C1CCC1 ZINC001280820956 1322469384 /nfs/dbraw/zinc/46/93/84/1322469384.db2.gz CVVLTDKPMPRBOY-UHFFFAOYSA-N 2 0 341.499 2.303 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H](C)CC)C2)CC1 ZINC001263932921 1322556151 /nfs/dbraw/zinc/55/61/51/1322556151.db2.gz FHUSNFXMYVMVFZ-ZIFCJYIRSA-N 2 0 333.520 2.252 10 30 EEEERP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001264677593 1322779056 /nfs/dbraw/zinc/77/90/56/1322779056.db2.gz DLISSGZOPHMIEB-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265618061 1323271231 /nfs/dbraw/zinc/27/12/31/1323271231.db2.gz WKUGYPPPTXVBAX-GOSISDBHSA-N 2 0 333.520 2.350 10 30 EEEERP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001265648800 1323294912 /nfs/dbraw/zinc/29/49/12/1323294912.db2.gz GXDFJBGDPRMCFS-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001266009118 1323561952 /nfs/dbraw/zinc/56/19/52/1323561952.db2.gz NOJYLVLXABTXFZ-HKUYNNGSSA-N 2 0 331.504 2.245 10 30 EEEERP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001266240901 1323828831 /nfs/dbraw/zinc/82/88/31/1323828831.db2.gz FTUHEOOOCHRYNW-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCC[NH+]1CCC([C@H](C)NC(=O)Cc2cn3c(n2)CCCC3)CC1 ZINC001279136796 1323838620 /nfs/dbraw/zinc/83/86/20/1323838620.db2.gz MVKDKMOOOFVAHW-INIZCTEOSA-N 2 0 342.487 2.002 10 30 EEEERP CC[C@H](C(=O)N[C@H](C)CCC[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001283260857 1325976818 /nfs/dbraw/zinc/97/68/18/1325976818.db2.gz POZCRWPUKCRFBO-VQIMIIECSA-N 2 0 347.478 2.392 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCc2ccccc2)CC1 ZINC001283725468 1326221004 /nfs/dbraw/zinc/22/10/04/1326221004.db2.gz ZMCYLHKHFVDHRO-GOSISDBHSA-N 2 0 341.499 2.011 10 30 EEEERP C#CC[NH+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001284977389 1326806740 /nfs/dbraw/zinc/80/67/40/1326806740.db2.gz HBUVHVKJIWDVPE-LJQANCHMSA-N 2 0 325.456 2.061 10 30 EEEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001316706051 1331382994 /nfs/dbraw/zinc/38/29/94/1331382994.db2.gz FJTCRJCQKTXSKI-APWZRJJASA-N 2 0 327.472 2.212 10 30 EEEERP CC#CC[NH2+]CCc1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001317368163 1332198468 /nfs/dbraw/zinc/19/84/68/1332198468.db2.gz HUIAGKHKZSHBQE-UHFFFAOYSA-N 2 0 339.483 2.087 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)C[N@H+](C)C1CCC1 ZINC001317595426 1332316501 /nfs/dbraw/zinc/31/65/01/1332316501.db2.gz BGMFRRAVEKZGMN-UHFFFAOYSA-N 2 0 347.890 2.224 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001317642728 1332344469 /nfs/dbraw/zinc/34/44/69/1332344469.db2.gz KZDKRSRBXRPILA-OALUTQOASA-N 2 0 340.471 2.123 10 30 EEEERP C=C(C)CC[NH2+]CC1(NC(=O)COC2CC[NH+](C)CC2)CCCC1 ZINC001318665120 1332574252 /nfs/dbraw/zinc/57/42/52/1332574252.db2.gz VIEWGWQKOAXQDE-UHFFFAOYSA-N 2 0 337.508 2.082 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCC3CC3)CCCC2)CC1 ZINC001319388812 1332693626 /nfs/dbraw/zinc/69/36/26/1332693626.db2.gz AYQPNIDFXZNUMV-UHFFFAOYSA-N 2 0 331.504 2.150 10 30 EEEERP C#CC[N@H+](C)CCC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001319889635 1332792954 /nfs/dbraw/zinc/79/29/54/1332792954.db2.gz HGRGJOXLRKATEV-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001320149673 1332838520 /nfs/dbraw/zinc/83/85/20/1332838520.db2.gz HEHPIDTZXINTSZ-NVXWUHKLSA-N 2 0 339.443 2.332 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001320450976 1332887329 /nfs/dbraw/zinc/88/73/29/1332887329.db2.gz SMSVHADUDRSQLE-ZIAGYGMSSA-N 2 0 346.313 2.254 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](C/C=C/Cl)CC1 ZINC001324397565 1333674605 /nfs/dbraw/zinc/67/46/05/1333674605.db2.gz QENFBYPNRQTRAD-ONLMNPRXSA-N 2 0 337.895 2.005 10 30 EEEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001326470221 1334099762 /nfs/dbraw/zinc/09/97/62/1334099762.db2.gz ZAUUISKNUNEAED-APWZRJJASA-N 2 0 327.472 2.459 10 30 EEEERP C=CCC[C@H](C)[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)O2 ZINC001327359344 1334275944 /nfs/dbraw/zinc/27/59/44/1334275944.db2.gz NGULTGAGCWHWIQ-FUHWJXTLSA-N 2 0 349.519 2.175 10 30 EEEERP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)O2 ZINC001327360506 1334276300 /nfs/dbraw/zinc/27/63/00/1334276300.db2.gz WDOAGZDOHXJSHN-KRWDZBQOSA-N 2 0 349.519 2.177 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc2ccccc2)CC[N@@H+]1C ZINC001328343608 1334447706 /nfs/dbraw/zinc/44/77/06/1334447706.db2.gz HWENJXITRRFJAF-YSIASYRMSA-N 2 0 341.499 2.253 10 30 EEEERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001331631936 1335049046 /nfs/dbraw/zinc/04/90/46/1335049046.db2.gz ODSUMYWJQHWLPN-INIZCTEOSA-N 2 0 347.890 2.224 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C2CCC1(C[NH3+])CC2)C(C)C ZINC001331848732 1335655144 /nfs/dbraw/zinc/65/51/44/1335655144.db2.gz DWMBIEMVSXJLPQ-TVRKMHQQSA-N 2 0 334.508 2.350 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1)C(C)C ZINC001675964491 1357078383 /nfs/dbraw/zinc/07/83/83/1357078383.db2.gz QBUMPRNEMIFAOU-ROUUACIJSA-N 2 0 336.524 2.421 10 30 EEEERP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001570660858 1343098123 /nfs/dbraw/zinc/09/81/23/1343098123.db2.gz ANCNPQXMJTUOKA-ACBHZAAOSA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(CC)CC)[C@H]2C)CC1 ZINC001676693774 1357181701 /nfs/dbraw/zinc/18/17/01/1357181701.db2.gz NUVRUKQMBXUGIB-APWZRJJASA-N 2 0 333.520 2.347 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C(F)(F)F ZINC001677049268 1357270586 /nfs/dbraw/zinc/27/05/86/1357270586.db2.gz XMXWJQDSWXWHRK-KBPBESRZSA-N 2 0 347.425 2.273 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)C2([NH+](C)C)CCC2)c(F)c1 ZINC001677643785 1357381882 /nfs/dbraw/zinc/38/18/82/1357381882.db2.gz ZPZMGFMJGHUPEH-UHFFFAOYSA-N 2 0 331.435 2.039 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001691758114 1357588023 /nfs/dbraw/zinc/58/80/23/1357588023.db2.gz SKGVRTVZPMXUNU-JENIJYKNSA-N 2 0 331.504 2.171 10 30 EEEERP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001664008636 1355072728 /nfs/dbraw/zinc/07/27/28/1355072728.db2.gz KSMVRRHFIGGBIN-MOPGFXCFSA-N 2 0 340.471 2.123 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001667176708 1355665216 /nfs/dbraw/zinc/66/52/16/1355665216.db2.gz PXHLAIOOEQUARK-GDBMZVCRSA-N 2 0 333.501 2.273 10 30 EEEERP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001674271736 1356810003 /nfs/dbraw/zinc/81/00/03/1356810003.db2.gz MGXNEXHBTFAVSU-XLIONFOSSA-N 2 0 339.483 2.067 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@@H](C)CCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001675916185 1357069398 /nfs/dbraw/zinc/06/93/98/1357069398.db2.gz TUNTZKLDKHAFPF-ICSRJNTNSA-N 2 0 343.515 2.499 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001699260965 1405304526 /nfs/dbraw/zinc/30/45/26/1405304526.db2.gz NWAYXIVYFONKMG-WWAPKCSDSA-N 2 0 340.471 2.051 10 30 EEEERP C=CCn1c(C)cc(C(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1C ZINC000923451052 789583227 /nfs/dbraw/zinc/58/32/27/789583227.db2.gz LDZHPHDUTAOVSR-KRWDZBQOSA-N 2 0 345.487 2.303 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001437311889 1089470449 /nfs/dbraw/zinc/47/04/49/1089470449.db2.gz NEMMUTVRXTZLBJ-JKSUJKDBSA-N 2 0 327.900 2.440 10 30 EEEERP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001437987590 1090581947 /nfs/dbraw/zinc/58/19/47/1090581947.db2.gz YVNPFNZBUDQLQH-HZPDHXFCSA-N 2 0 327.900 2.392 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1 ZINC001441938020 1096132295 /nfs/dbraw/zinc/13/22/95/1096132295.db2.gz REKITJPYCFNNSD-SFHVURJKSA-N 2 0 342.487 2.227 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001480362019 1100134682 /nfs/dbraw/zinc/13/46/82/1100134682.db2.gz YIUXPPCWNAMQSO-HXUWFJFHSA-N 2 0 341.499 2.155 10 30 EEEERP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001497200221 1102113834 /nfs/dbraw/zinc/11/38/34/1102113834.db2.gz ZCLKIGLEUFANEN-KBPBESRZSA-N 2 0 346.313 2.254 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001496136027 1102120728 /nfs/dbraw/zinc/12/07/28/1102120728.db2.gz CKOHWOSVVNVRJH-LPHOPBHVSA-N 2 0 345.462 2.098 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]Cc2ccccc2C)CC1 ZINC001497500790 1102588690 /nfs/dbraw/zinc/58/86/90/1102588690.db2.gz KSLHDALWNVKXBT-UHFFFAOYSA-N 2 0 341.499 2.278 10 30 EEEERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(C#N)s1 ZINC001493877335 1103017146 /nfs/dbraw/zinc/01/71/46/1103017146.db2.gz WLBQAZGRXYAKOP-HNNXBMFYSA-N 2 0 348.516 2.288 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001494136724 1103584878 /nfs/dbraw/zinc/58/48/78/1103584878.db2.gz GPNPGNSWWNYNPY-HNNXBMFYSA-N 2 0 333.501 2.227 10 30 EEEERP CC[C@H](CNC(=O)CC[N@H+](C)CC)[NH2+]CC#Cc1ccc(F)cc1 ZINC001495083804 1104722556 /nfs/dbraw/zinc/72/25/56/1104722556.db2.gz JHRAUPPVPIUEOR-GOSISDBHSA-N 2 0 333.451 2.003 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001480701700 1106914308 /nfs/dbraw/zinc/91/43/08/1106914308.db2.gz MPHXFSACMJEDFB-WOJBJXKFSA-N 2 0 341.499 2.201 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001499842973 1112508759 /nfs/dbraw/zinc/50/87/59/1112508759.db2.gz DMNMPVYQEIFANH-XLIONFOSSA-N 2 0 341.499 2.397 10 30 EEEERP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001500054357 1112595088 /nfs/dbraw/zinc/59/50/88/1112595088.db2.gz NGIMRIUJLVZZMP-SJORKVTESA-N 2 0 337.483 2.003 10 30 EEEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001505416494 1113950097 /nfs/dbraw/zinc/95/00/97/1113950097.db2.gz LNYPUOLUQWWXOV-SBHAEUEKSA-N 2 0 339.483 2.420 10 30 EEEERP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001506522763 1114671882 /nfs/dbraw/zinc/67/18/82/1114671882.db2.gz XRZBIGGGDYKNLN-QZTJIDSGSA-N 2 0 331.504 2.435 10 30 EEEERP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@H]12 ZINC001507346611 1115209791 /nfs/dbraw/zinc/20/97/91/1115209791.db2.gz UXKZDKOHSOLEHX-SOLBZPMBSA-N 2 0 325.472 2.356 10 30 EEEERP C=CCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001508084243 1115415974 /nfs/dbraw/zinc/41/59/74/1115415974.db2.gz GVLFEIRLYLJMAA-KGLIPLIRSA-N 2 0 333.398 2.027 10 30 EEEERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567989935 1124218727 /nfs/dbraw/zinc/21/87/27/1124218727.db2.gz XCOGDOGOAISYMK-GOSISDBHSA-N 2 0 347.890 2.272 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H](C)F)CC2)CC1 ZINC001568114489 1124309957 /nfs/dbraw/zinc/30/99/57/1124309957.db2.gz IZCLVEVDQBTPFU-SZMVWBNQSA-N 2 0 337.483 2.097 10 30 EEEERP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001568224670 1124368185 /nfs/dbraw/zinc/36/81/85/1124368185.db2.gz ICKZPMCLPMCPDQ-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001569019208 1125046631 /nfs/dbraw/zinc/04/66/31/1125046631.db2.gz PFKNXRLZYPPJHT-IEBWSBKVSA-N 2 0 329.488 2.253 10 30 EEEERP CN(C(=O)CC1(C#N)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000590315041 468233885 /nfs/dbraw/zinc/23/38/85/468233885.db2.gz HMTYITXRHMOMDC-QZTJIDSGSA-N 2 0 346.519 2.476 10 30 EEEERP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594444096 468590853 /nfs/dbraw/zinc/59/08/53/468590853.db2.gz XPJHWPXCNZVXSM-UHOSZYNNSA-N 2 0 342.487 2.424 10 30 EEEERP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599284696 469192036 /nfs/dbraw/zinc/19/20/36/469192036.db2.gz XYEYNTXDEPQKMV-SFHVURJKSA-N 2 0 337.508 2.110 10 30 EEEERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000596653963 469322774 /nfs/dbraw/zinc/32/27/74/469322774.db2.gz MRZRMQOGDBERSH-OAHLLOKOSA-N 2 0 328.460 2.199 10 30 EEEERP C#CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000775398010 577436578 /nfs/dbraw/zinc/43/65/78/577436578.db2.gz DEKAXALMFLPBEQ-IBGZPJMESA-N 2 0 325.456 2.084 10 30 EEEERP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000261983858 676891704 /nfs/dbraw/zinc/89/17/04/676891704.db2.gz JGWJONHAURGLLP-CQSZACIVSA-N 2 0 332.448 2.449 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001266550855 1176818149 /nfs/dbraw/zinc/81/81/49/1176818149.db2.gz FKEIAEYERMMSLL-OOFWQKGWSA-N 2 0 331.504 2.126 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001691111623 1177594735 /nfs/dbraw/zinc/59/47/35/1177594735.db2.gz OUJLYJMPSKBSFL-MAEOIBBWSA-N 2 0 347.890 2.128 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001691427974 1178322603 /nfs/dbraw/zinc/32/26/03/1178322603.db2.gz HIQJZJWTKOYOFS-NEWSRXKRSA-N 2 0 331.504 2.099 10 30 EEEERP CC[C@@H](C(=O)N(CC)[C@H]1CCN(CC#Cc2ccccc2)C1)[NH+](C)C ZINC001481776933 1182674040 /nfs/dbraw/zinc/67/40/40/1182674040.db2.gz CCKRESDZEOSDOP-PMACEKPBSA-N 2 0 341.499 2.301 10 30 EEEERP CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001268457585 1182718589 /nfs/dbraw/zinc/71/85/89/1182718589.db2.gz IZTUXRZMTYLPMP-SFHVURJKSA-N 2 0 330.476 2.083 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001268543553 1183215361 /nfs/dbraw/zinc/21/53/61/1183215361.db2.gz WLBZANQXEWJARH-GNAXCBTBSA-N 2 0 340.471 2.193 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001482199514 1183877572 /nfs/dbraw/zinc/87/75/72/1183877572.db2.gz GKZXLEXCQRBENJ-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001269799352 1184627662 /nfs/dbraw/zinc/62/76/62/1184627662.db2.gz USEBMFQNBIDBOF-IBGZPJMESA-N 2 0 333.520 2.494 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCCC1 ZINC001482364142 1185518161 /nfs/dbraw/zinc/51/81/61/1185518161.db2.gz BVXPXJBIARQHIO-MRXNPFEDSA-N 2 0 347.890 2.224 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001483019467 1188007037 /nfs/dbraw/zinc/00/70/37/1188007037.db2.gz KBNKDZKTYCBTGJ-GHOSXJJBSA-N 2 0 331.504 2.316 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCC(C)C)CC1 ZINC001483986463 1191143206 /nfs/dbraw/zinc/14/32/06/1191143206.db2.gz GSCDVCNJYFIWHX-UHFFFAOYSA-N 2 0 333.520 2.301 10 30 EEEERP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001484340582 1191311207 /nfs/dbraw/zinc/31/12/07/1191311207.db2.gz AIWVGSHUTNOBCC-FUHWJXTLSA-N 2 0 329.488 2.417 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001484397231 1191330493 /nfs/dbraw/zinc/33/04/93/1191330493.db2.gz CHJZYGZOKGTTQS-NCXUSEDFSA-N 2 0 333.520 2.395 10 30 EEEERP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001273018882 1194325063 /nfs/dbraw/zinc/32/50/63/1194325063.db2.gz PSRSKLSKAZDVNB-ZDUSSCGKSA-N 2 0 348.329 2.357 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001410232505 1197621909 /nfs/dbraw/zinc/62/19/09/1197621909.db2.gz ZSJQGAAGLNIXQG-FPCVCCKLSA-N 2 0 327.900 2.344 10 30 EEEERP C#CCN(C(=O)c1ccc(NC2=[NH+]CCC2)cc1)C1CC[NH+](C)CC1 ZINC000886573501 1202525568 /nfs/dbraw/zinc/52/55/68/1202525568.db2.gz LCORDPIIPDDTLZ-UHFFFAOYSA-N 2 0 338.455 2.460 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001275572053 1205422943 /nfs/dbraw/zinc/42/29/43/1205422943.db2.gz SUGLWJOFHWFKFV-IAGOWNOFSA-N 2 0 333.520 2.395 10 30 EEEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001691743051 1215080596 /nfs/dbraw/zinc/08/05/96/1215080596.db2.gz UMDFXSVITGMZOX-RVKKMQEKSA-N 2 0 325.472 2.259 10 30 EEEERP [NH2+]=C(NC[C@H]1CCCO1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000303258550 1215786093 /nfs/dbraw/zinc/78/60/93/1215786093.db2.gz KXSFCSQUUOYOCK-HUUCEWRRSA-N 2 0 336.505 2.043 10 30 EEEERP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903726696 1241733364 /nfs/dbraw/zinc/73/33/64/1241733364.db2.gz NEOXBPMHCOOYHC-QZTJIDSGSA-N 2 0 331.416 2.351 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001490902332 1254256188 /nfs/dbraw/zinc/25/61/88/1254256188.db2.gz MXWGWOFWYMOUGI-VAMGGRTRSA-N 2 0 339.483 2.149 10 30 EEEERP C=CCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)O2 ZINC001273668668 1282844852 /nfs/dbraw/zinc/84/48/52/1282844852.db2.gz FZXULUVZIBSINB-GOSISDBHSA-N 2 0 349.519 2.034 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@]1(C)CCN(CC#Cc2ccccc2Cl)C1 ZINC001278420548 1310187245 /nfs/dbraw/zinc/18/72/45/1310187245.db2.gz MVGGBSCWOYVVRV-IBGZPJMESA-N 2 0 347.890 2.224 10 30 EEEERP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001278532649 1317161586 /nfs/dbraw/zinc/16/15/86/1317161586.db2.gz HBLVYWBGUKYWAQ-MISYRCLQSA-N 2 0 341.499 2.057 10 30 EEEERP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001278667641 1317608304 /nfs/dbraw/zinc/60/83/04/1317608304.db2.gz HFOWHVJVZRCVPH-LPHOPBHVSA-N 2 0 330.476 2.240 10 30 EEEERP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1(C)C ZINC001278685157 1317707449 /nfs/dbraw/zinc/70/74/49/1317707449.db2.gz SXPXJTLLPRSUKI-MSOLQXFVSA-N 2 0 327.472 2.139 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC)c2ccccc2CC)CC1 ZINC001278978222 1318902866 /nfs/dbraw/zinc/90/28/66/1318902866.db2.gz YJSARCMLXNMPGK-HXUWFJFHSA-N 2 0 341.499 2.361 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@H](C)[NH2+]CC=C(C)C)C2)CC1 ZINC001279044624 1319075654 /nfs/dbraw/zinc/07/56/54/1319075654.db2.gz HNXLNGURDUNXGZ-HKUYNNGSSA-N 2 0 331.504 2.124 10 30 EEEERP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001264017712 1322585886 /nfs/dbraw/zinc/58/58/86/1322585886.db2.gz LBLSHOCYATZJLV-GUDVDZBRSA-N 2 0 333.520 2.489 10 30 EEEERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265503438 1323186536 /nfs/dbraw/zinc/18/65/36/1323186536.db2.gz VCSGWCDTFCOOHO-WGSAOQKQSA-N 2 0 327.472 2.007 10 30 EEEERP CC#CC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001279195630 1323849044 /nfs/dbraw/zinc/84/90/44/1323849044.db2.gz ZDHRMHCHBMFAQQ-LPHOPBHVSA-N 2 0 327.472 2.069 10 30 EEEERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001282226723 1325656687 /nfs/dbraw/zinc/65/66/87/1325656687.db2.gz DXGDTVPYTOXCQM-HZPDHXFCSA-N 2 0 347.890 2.270 10 30 EEEERP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001283260189 1325976183 /nfs/dbraw/zinc/97/61/83/1325976183.db2.gz MEYMWEVHWXBREZ-VQIMIIECSA-N 2 0 342.487 2.275 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C(F)(F)F ZINC001284377589 1326528209 /nfs/dbraw/zinc/52/82/09/1326528209.db2.gz YGHSOAQTZSWFAS-CABCVRRESA-N 2 0 347.425 2.131 10 30 EEEERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001317262352 1332157378 /nfs/dbraw/zinc/15/73/78/1332157378.db2.gz CEIHIKJKZMNIBD-IEBWSBKVSA-N 2 0 329.488 2.253 10 30 EEEERP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001319206401 1332665087 /nfs/dbraw/zinc/66/50/87/1332665087.db2.gz DKNVRXNCZRCBEW-MAUKXSAKSA-N 2 0 349.906 2.374 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2C#N)C1 ZINC001326419894 1334090277 /nfs/dbraw/zinc/09/02/77/1334090277.db2.gz UIXQSZUSZZTLKC-KRWDZBQOSA-N 2 0 342.487 2.228 10 30 EEEERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001331546839 1335034885 /nfs/dbraw/zinc/03/48/85/1335034885.db2.gz KYSURYKXQNUKRX-PKOBYXMFSA-N 2 0 329.488 2.061 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001339053230 1336950827 /nfs/dbraw/zinc/95/08/27/1336950827.db2.gz DZRWSBRNAXNCOX-UHFFFAOYSA-N 2 0 330.476 2.193 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676018864 1357090433 /nfs/dbraw/zinc/09/04/33/1357090433.db2.gz VASZGCRGNKFFLU-RHSMWYFYSA-N 2 0 346.450 2.024 10 30 EEEERP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001570553416 1343084066 /nfs/dbraw/zinc/08/40/66/1343084066.db2.gz OJOYXPFXWOANGA-IBGZPJMESA-N 2 0 345.531 2.302 10 30 EEEERP C=CCOCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC001571502098 1343220521 /nfs/dbraw/zinc/22/05/21/1343220521.db2.gz ZZIZTDVGQOYHHR-CMKODMSKSA-N 2 0 349.519 2.175 10 30 EEEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001676234543 1357124516 /nfs/dbraw/zinc/12/45/16/1357124516.db2.gz OCJDZFDOPKNHRX-GOSISDBHSA-N 2 0 339.443 2.284 10 30 EEEERP C=CCCC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001656976084 1354306199 /nfs/dbraw/zinc/30/61/99/1354306199.db2.gz TWKDKPVHZPUQMY-WBVHZDCISA-N 2 0 339.443 2.426 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001661318019 1354628073 /nfs/dbraw/zinc/62/80/73/1354628073.db2.gz RXGJZBKCTKVMAB-VQTJNVASSA-N 2 0 339.483 2.103 10 30 EEEERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001661498921 1354646322 /nfs/dbraw/zinc/64/63/22/1354646322.db2.gz PUYVHYNDJAWHBH-WGSAOQKQSA-N 2 0 345.462 2.146 10 30 EEEERP C#CC[NH+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001664894418 1355254548 /nfs/dbraw/zinc/25/45/48/1355254548.db2.gz VBRWMQJNAQURCD-FQEVSTJZSA-N 2 0 341.499 2.483 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666458812 1355529356 /nfs/dbraw/zinc/52/93/56/1355529356.db2.gz VQRNJXKLYVPCOJ-QAPCUYQASA-N 2 0 325.472 2.356 10 30 EEEERP C#CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C1CC[NH+](CC=C)CC1 ZINC001671497193 1356350726 /nfs/dbraw/zinc/35/07/26/1356350726.db2.gz NSERWQYZCKPJHJ-SFHVURJKSA-N 2 0 331.504 2.363 10 30 EEEERP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001671912507 1356437414 /nfs/dbraw/zinc/43/74/14/1356437414.db2.gz OETGTICUNICFMC-FQEVSTJZSA-N 2 0 327.472 2.213 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1CC ZINC001672181546 1356474848 /nfs/dbraw/zinc/47/48/48/1356474848.db2.gz APWIMVRAZQHSRT-LJQANCHMSA-N 2 0 327.472 2.115 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1CC ZINC001672182831 1356474973 /nfs/dbraw/zinc/47/49/73/1356474973.db2.gz KFRDOJTUIGJBFN-LJQANCHMSA-N 2 0 339.483 2.115 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001674674432 1356873309 /nfs/dbraw/zinc/87/33/09/1356873309.db2.gz RUPDNFUHFDGAJH-CVEARBPZSA-N 2 0 345.462 2.144 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCC2CCCC2)CC1 ZINC001675048894 1356929036 /nfs/dbraw/zinc/92/90/36/1356929036.db2.gz HIXBLTUCLOVFND-KRWDZBQOSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001699113236 1405268712 /nfs/dbraw/zinc/26/87/12/1405268712.db2.gz OZEJIRLFQLCORQ-CYBMUJFWSA-N 2 0 344.297 2.008 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857936 779445388 /nfs/dbraw/zinc/44/53/88/779445388.db2.gz HGNCYDLFPNYMKF-QZTJIDSGSA-N 2 0 333.520 2.347 10 30 EEEERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC001436795031 1088362846 /nfs/dbraw/zinc/36/28/46/1088362846.db2.gz GZPOYIVQYTYBEM-MOPGFXCFSA-N 2 0 340.471 2.027 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001437005666 1088772616 /nfs/dbraw/zinc/77/26/16/1088772616.db2.gz CEYBIGPPACPLFQ-JYJNAYRXSA-N 2 0 327.900 2.297 10 30 EEEERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2C#N)C1 ZINC001439240713 1091888072 /nfs/dbraw/zinc/88/80/72/1091888072.db2.gz BHZCUZOJUSOWIZ-LPHOPBHVSA-N 2 0 342.487 2.275 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001440134679 1093200114 /nfs/dbraw/zinc/20/01/14/1093200114.db2.gz JSSIJKNCCMXFQN-HOCLYGCPSA-N 2 0 327.900 2.155 10 30 EEEERP C=C(Br)C[NH2+][C@H](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001448565385 1093614322 /nfs/dbraw/zinc/61/43/22/1093614322.db2.gz YLGDYUUQSKXVGI-CQSZACIVSA-N 2 0 346.313 2.111 10 30 EEEERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001448711633 1093781536 /nfs/dbraw/zinc/78/15/36/1093781536.db2.gz SHAODEVEWRHJKP-BXWFABGCSA-N 2 0 342.487 2.225 10 30 EEEERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001441434785 1095039003 /nfs/dbraw/zinc/03/90/03/1095039003.db2.gz NAMLXGXINYKOHQ-IRXDYDNUSA-N 2 0 346.500 2.041 10 30 EEEERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001441936013 1096127778 /nfs/dbraw/zinc/12/77/78/1096127778.db2.gz FUAGLCHNJJJEGJ-YCPHGPKFSA-N 2 0 346.450 2.022 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001442338984 1096661199 /nfs/dbraw/zinc/66/11/99/1096661199.db2.gz OKPRMMIPXNHQFQ-CQSZACIVSA-N 2 0 334.439 2.022 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001443242490 1097713081 /nfs/dbraw/zinc/71/30/81/1097713081.db2.gz JCJLMROGDAKWJJ-JKSUJKDBSA-N 2 0 327.900 2.442 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001479636521 1098664759 /nfs/dbraw/zinc/66/47/59/1098664759.db2.gz BUOYWFVMLHFNNO-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001479695975 1098765344 /nfs/dbraw/zinc/76/53/44/1098765344.db2.gz QZHRGTIGWWMNQW-MOPGFXCFSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001480187504 1099782156 /nfs/dbraw/zinc/78/21/56/1099782156.db2.gz CURMBPIXQOIKIL-RBUKOAKNSA-N 2 0 333.520 2.445 10 30 EEEERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001496603449 1101204379 /nfs/dbraw/zinc/20/43/79/1101204379.db2.gz ROVQIEJUELNTTR-APWZRJJASA-N 2 0 342.487 2.130 10 30 EEEERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccccc1C#N ZINC001495732952 1101500299 /nfs/dbraw/zinc/50/02/99/1101500299.db2.gz ZVEMGRMWGDOGGN-IKGGRYGDSA-N 2 0 342.487 2.130 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001495810543 1101625978 /nfs/dbraw/zinc/62/59/78/1101625978.db2.gz BMUWKZUJEVMTSN-MRXNPFEDSA-N 2 0 349.906 2.374 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CCc2ccccc2)CC1 ZINC001497501356 1102589711 /nfs/dbraw/zinc/58/97/11/1102589711.db2.gz UFYWDQBIJYMDPH-UHFFFAOYSA-N 2 0 341.499 2.012 10 30 EEEERP CC[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]Cc1ccc(C#N)cc1 ZINC001495098303 1104738640 /nfs/dbraw/zinc/73/86/40/1104738640.db2.gz NWNZVUZEMMHECC-ICSRJNTNSA-N 2 0 340.471 2.029 10 30 EEEERP CCC[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480805084 1107148262 /nfs/dbraw/zinc/14/82/62/1107148262.db2.gz DUORSGQMIBCTFY-MRXNPFEDSA-N 2 0 333.451 2.003 10 30 EEEERP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC2)C1 ZINC001499477976 1112308184 /nfs/dbraw/zinc/30/81/84/1112308184.db2.gz KXVZQDBYIIHIRA-ROUUACIJSA-N 2 0 339.499 2.413 10 30 EEEERP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001501203287 1113240162 /nfs/dbraw/zinc/24/01/62/1113240162.db2.gz VNMMFVVNWVKZII-LJQANCHMSA-N 2 0 344.503 2.401 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001501651587 1113416210 /nfs/dbraw/zinc/41/62/10/1113416210.db2.gz QKNBWDRNYABNBD-QGZVFWFLSA-N 2 0 327.472 2.213 10 30 EEEERP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001501663070 1113421847 /nfs/dbraw/zinc/42/18/47/1113421847.db2.gz LUHKBJVNSRZKMA-FQEVSTJZSA-N 2 0 339.483 2.100 10 30 EEEERP C#CCC[N@H+]1CCc2c(CNC(=O)CCCC[NH+](C)C)cccc2C1 ZINC001501857028 1113499415 /nfs/dbraw/zinc/49/94/15/1113499415.db2.gz YTJAGRVFKLAQOD-UHFFFAOYSA-N 2 0 341.499 2.416 10 30 EEEERP CC#CCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001503689988 1113899323 /nfs/dbraw/zinc/89/93/23/1113899323.db2.gz CPDKZNNTUOZGJG-VQTJNVASSA-N 2 0 341.499 2.312 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC/C=C/CC)C2)CC1 ZINC001505537912 1114039425 /nfs/dbraw/zinc/03/94/25/1114039425.db2.gz PLLUYZCCBAXDFP-AATRIKPKSA-N 2 0 331.504 2.172 10 30 EEEERP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001506986074 1115032916 /nfs/dbraw/zinc/03/29/16/1115032916.db2.gz YUBKHUXAZSOEOG-IEBWSBKVSA-N 2 0 333.520 2.395 10 30 EEEERP C=C(CC(C)C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001520912314 1119201954 /nfs/dbraw/zinc/20/19/54/1119201954.db2.gz AANOYRYKHCGFLP-UHFFFAOYSA-N 2 0 330.476 2.312 10 30 EEEERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001567990438 1124219666 /nfs/dbraw/zinc/21/96/66/1124219666.db2.gz HROVOGIXMZGCMP-SFHVURJKSA-N 2 0 333.451 2.002 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568279102 1124401252 /nfs/dbraw/zinc/40/12/52/1124401252.db2.gz IWGIIWASYBKMDE-QUCCMNQESA-N 2 0 341.499 2.349 10 30 EEEERP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001565885305 1125449459 /nfs/dbraw/zinc/44/94/59/1125449459.db2.gz WCPAKKRHOOXBSJ-RBUKOAKNSA-N 2 0 329.488 2.489 10 30 EEEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc2ccccc2n1C1CC1 ZINC000183836425 781922715 /nfs/dbraw/zinc/92/27/15/781922715.db2.gz PVXOOWYVTBOFNA-OAHLLOKOSA-N 2 0 340.475 2.260 10 30 EEEERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCOc2cccc(C#N)c2)CC1 ZINC000156185518 462990502 /nfs/dbraw/zinc/99/05/02/462990502.db2.gz NYQDKXZPZFQPEZ-QGZVFWFLSA-N 2 0 345.487 2.352 10 30 EEEERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn3ccccc3c2C#N)CC1 ZINC000069658768 463296940 /nfs/dbraw/zinc/29/69/40/463296940.db2.gz XCDFVWXVUXSTAC-MRXNPFEDSA-N 2 0 340.471 2.336 10 30 EEEERP COCCC[NH+]=C(NCc1cccs1)NC[C@H](C)[NH+]1CCCC1 ZINC000072271907 463492621 /nfs/dbraw/zinc/49/26/21/463492621.db2.gz WAFJFNOPXQKMNS-HNNXBMFYSA-N 2 0 338.521 2.304 10 30 EEEERP C=CCOc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000353671394 466056381 /nfs/dbraw/zinc/05/63/81/466056381.db2.gz KBEFCUAVWLASQS-UHFFFAOYSA-N 2 0 345.487 2.333 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C(C)C ZINC000417058333 466767736 /nfs/dbraw/zinc/76/77/36/466767736.db2.gz FJRLHUQHDCGTNB-ZWKOTPCHSA-N 2 0 334.508 2.221 10 30 EEEERP C=CCOc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414971460 467458927 /nfs/dbraw/zinc/45/89/27/467458927.db2.gz IRYIRQWZUSRLDY-MRXNPFEDSA-N 2 0 343.393 2.177 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000594424660 468582421 /nfs/dbraw/zinc/58/24/21/468582421.db2.gz HMGQCXLYMMTVKL-SFHVURJKSA-N 2 0 328.460 2.132 10 30 EEEERP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]2CCCC2)o1 ZINC000594439267 468588253 /nfs/dbraw/zinc/58/82/53/468588253.db2.gz UQHYRBAFBZWEOR-CVEARBPZSA-N 2 0 332.448 2.252 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[NH2+]C)CC1 ZINC000652147331 471244849 /nfs/dbraw/zinc/24/48/49/471244849.db2.gz QSECBFVDRMFXLF-UHFFFAOYSA-N 2 0 330.476 2.246 10 30 EEEERP C=CCOc1cccc(C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)c1 ZINC000663502485 471402247 /nfs/dbraw/zinc/40/22/47/471402247.db2.gz HSPFYROPPLTLEU-UHFFFAOYSA-N 2 0 345.487 2.332 10 30 EEEERP C=CC[C@@]1(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662697826 472213212 /nfs/dbraw/zinc/21/32/12/472213212.db2.gz CJYOHCHLUQWBSS-UZLBHIALSA-N 2 0 327.472 2.248 10 30 EEEERP C=CCCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001485674105 1191893268 /nfs/dbraw/zinc/89/32/68/1191893268.db2.gz XOTKEFYFKGGPEA-SFHVURJKSA-N 2 0 349.519 2.036 10 30 EEEERP C[N@H+](CC#Cc1ccccc1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001485754345 1191923732 /nfs/dbraw/zinc/92/37/32/1191923732.db2.gz BSKFVHPKQYRGCL-FQEVSTJZSA-N 2 0 339.483 2.055 10 30 EEEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001670523269 1176864517 /nfs/dbraw/zinc/86/45/17/1176864517.db2.gz VWLIBVUDSFWEAC-CEXWTWQISA-N 2 0 327.472 2.002 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001266787001 1177428006 /nfs/dbraw/zinc/42/80/06/1177428006.db2.gz RGAOUTTYZPABBA-OALUTQOASA-N 2 0 345.531 2.493 10 30 EEEERP CN(CC[NH2+]Cc1cc(C#N)ccc1F)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001266798064 1177450129 /nfs/dbraw/zinc/45/01/29/1177450129.db2.gz JNQUSWBDIQAZRO-UHFFFAOYSA-N 2 0 346.450 2.120 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001267549367 1179335596 /nfs/dbraw/zinc/33/55/96/1179335596.db2.gz DGHUUDCZPHLMQZ-FQEVSTJZSA-N 2 0 345.531 2.445 10 30 EEEERP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001267602630 1179663972 /nfs/dbraw/zinc/66/39/72/1179663972.db2.gz HTCFEZJRBJQYSH-RTBURBONSA-N 2 0 331.504 2.197 10 30 EEEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001481334900 1181059767 /nfs/dbraw/zinc/05/97/67/1181059767.db2.gz BECLEYQNZYVSKU-PKOBYXMFSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001481513929 1181612838 /nfs/dbraw/zinc/61/28/38/1181612838.db2.gz LSXUQSDPQYIQDY-LJQANCHMSA-N 2 0 333.520 2.465 10 30 EEEERP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268067271 1181661025 /nfs/dbraw/zinc/66/10/25/1181661025.db2.gz SNIFRWBXKPMZRW-HKUYNNGSSA-N 2 0 347.478 2.155 10 30 EEEERP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2cnccc2OC)C1 ZINC001268171473 1181942349 /nfs/dbraw/zinc/94/23/49/1181942349.db2.gz OCZZZZZQWPVNHJ-CVEARBPZSA-N 2 0 331.460 2.426 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268291620 1182177418 /nfs/dbraw/zinc/17/74/18/1182177418.db2.gz ZNTWPINVJDUMFI-RTBURBONSA-N 2 0 327.472 2.260 10 30 EEEERP C=CCCCCC[NH+]1CC(CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001268842810 1183760670 /nfs/dbraw/zinc/76/06/70/1183760670.db2.gz AOFCYZYAWAOVJM-KRWDZBQOSA-N 2 0 330.476 2.240 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CC2=CCCCC2)CC1 ZINC001269515700 1184342057 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C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001410380773 1197776446 /nfs/dbraw/zinc/77/64/46/1197776446.db2.gz MGPOAXPMOOZRPA-KBPBESRZSA-N 2 0 346.313 2.206 10 30 EEEERP C#CC[C@H]1CC[N@H+](Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000877651065 1200006998 /nfs/dbraw/zinc/00/69/98/1200006998.db2.gz RIDNICTVOWEEDL-SFHVURJKSA-N 2 0 328.456 2.243 10 30 EEEERP COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866666784 1201574446 /nfs/dbraw/zinc/57/44/46/1201574446.db2.gz WSRXDICIMXBYBZ-QRVBRYPASA-N 2 0 341.455 2.484 10 30 EEEERP C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001275081328 1205250885 /nfs/dbraw/zinc/25/08/85/1205250885.db2.gz UQDCNLOAJQBUBH-AQNXPRMDSA-N 2 0 339.483 2.112 10 30 EEEERP CC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001275279559 1205297470 /nfs/dbraw/zinc/29/74/70/1205297470.db2.gz XNKCRHHETDQSJV-TVPLGVNVSA-N 2 0 331.504 2.291 10 30 EEEERP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001446018613 1205511488 /nfs/dbraw/zinc/51/14/88/1205511488.db2.gz USAPOGWDNWMKNP-KBPBESRZSA-N 2 0 346.313 2.063 10 30 EEEERP CC(C)CNC(=[NH2+])NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000305722154 1217086546 /nfs/dbraw/zinc/08/65/46/1217086546.db2.gz COBTURSGDOGSEV-UHFFFAOYSA-N 2 0 343.519 2.279 10 30 EEEERP C#CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001273599456 1280826855 /nfs/dbraw/zinc/82/68/55/1280826855.db2.gz RINLNWALFARJEP-RBUKOAKNSA-N 2 0 333.520 2.302 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001489270829 1290498463 /nfs/dbraw/zinc/49/84/63/1290498463.db2.gz CMNDELRAHBVAEB-NZSAHSFTSA-N 2 0 349.519 2.175 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3cncn3C)C[C@@]2(C)C1 ZINC001276906071 1300201407 /nfs/dbraw/zinc/20/14/07/1300201407.db2.gz KJJHBVZDMCLVQK-AHRSYUTCSA-N 2 0 344.503 2.488 10 30 EEEERP C#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001278607070 1317347427 /nfs/dbraw/zinc/34/74/27/1317347427.db2.gz CLYLXPBLUBEOQC-SFHVURJKSA-N 2 0 345.531 2.493 10 30 EEEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001264677994 1322779718 /nfs/dbraw/zinc/77/97/18/1322779718.db2.gz NCAPZWHDJSKLGG-DLBZAZTESA-N 2 0 325.472 2.050 10 30 EEEERP CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001265378277 1323106831 /nfs/dbraw/zinc/10/68/31/1323106831.db2.gz JCFKZFRCMKYJHP-PMACEKPBSA-N 2 0 341.499 2.109 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265401208 1323132686 /nfs/dbraw/zinc/13/26/86/1323132686.db2.gz NDJSRCJBOOEMIE-OALUTQOASA-N 2 0 333.520 2.301 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265618062 1323271438 /nfs/dbraw/zinc/27/14/38/1323271438.db2.gz WKUGYPPPTXVBAX-SFHVURJKSA-N 2 0 333.520 2.350 10 30 EEEERP CC#CC[N@H+](CC)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266083134 1323640664 /nfs/dbraw/zinc/64/06/64/1323640664.db2.gz VAMWVGVFNYIHMH-GOSISDBHSA-N 2 0 325.472 2.050 10 30 EEEERP C=CCC[NH2+]Cc1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(F)c1 ZINC001279722917 1323986129 /nfs/dbraw/zinc/98/61/29/1323986129.db2.gz PBXUFFBYCWIJSB-INIZCTEOSA-N 2 0 333.451 2.449 10 30 EEEERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001276610796 1324776450 /nfs/dbraw/zinc/77/64/50/1324776450.db2.gz DVYNHGHYPOTCCP-VQTJNVASSA-N 2 0 339.483 2.007 10 30 EEEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001283542477 1326122405 /nfs/dbraw/zinc/12/24/05/1326122405.db2.gz CYEAPUVEBNPZIT-LJQANCHMSA-N 2 0 327.472 2.212 10 30 EEEERP C=C(C)CC[NH2+]C1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001317218778 1332141375 /nfs/dbraw/zinc/14/13/75/1332141375.db2.gz WJXXHZLMHUWOMY-UHFFFAOYSA-N 2 0 347.507 2.042 10 30 EEEERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001317262353 1332157208 /nfs/dbraw/zinc/15/72/08/1332157208.db2.gz CEIHIKJKZMNIBD-MJGOQNOKSA-N 2 0 329.488 2.253 10 30 EEEERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001318570706 1332562394 /nfs/dbraw/zinc/56/23/94/1332562394.db2.gz PUAHOZDHHHCNMF-APWZRJJASA-N 2 0 345.462 2.003 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001318686299 1332577168 /nfs/dbraw/zinc/57/71/68/1332577168.db2.gz JRHSCRZPNNEYDF-PZJWPPBQSA-N 2 0 339.483 2.007 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001318686297 1332577194 /nfs/dbraw/zinc/57/71/94/1332577194.db2.gz JRHSCRZPNNEYDF-FPOVZHCZSA-N 2 0 339.483 2.007 10 30 EEEERP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001328467850 1334463297 /nfs/dbraw/zinc/46/32/97/1334463297.db2.gz HEMCQSUKLWKGIY-HXUWFJFHSA-N 2 0 341.499 2.457 10 30 EEEERP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](F)C[NH+](CC)CC ZINC001328686357 1334499435 /nfs/dbraw/zinc/49/94/35/1334499435.db2.gz HRFRYKIESNGURN-KZNAEPCWSA-N 2 0 333.451 2.224 10 30 EEEERP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001328812419 1334528212 /nfs/dbraw/zinc/52/82/12/1334528212.db2.gz NMMIGOIFOUUHKL-IBGZPJMESA-N 2 0 333.520 2.302 10 30 EEEERP C#CC[N@H+](CC[C@@H]1CCOC1)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001330719885 1334890710 /nfs/dbraw/zinc/89/07/10/1334890710.db2.gz FXSQKVFLUKBWCQ-RTBURBONSA-N 2 0 334.504 2.239 10 30 EEEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001330926083 1334928037 /nfs/dbraw/zinc/92/80/37/1334928037.db2.gz HIWNAXQXCPWBAG-RLLQIKCJSA-N 2 0 341.499 2.230 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC001335459293 1336378709 /nfs/dbraw/zinc/37/87/09/1336378709.db2.gz FGWUGZLDFLZANB-KRWDZBQOSA-N 2 0 348.535 2.448 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C/C=C/Cl)C2CC2)CC1 ZINC001566604364 1342576831 /nfs/dbraw/zinc/57/68/31/1342576831.db2.gz WXNTVUPCEYNYPQ-YCRREMRBSA-N 2 0 337.895 2.055 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001566912231 1342651504 /nfs/dbraw/zinc/65/15/04/1342651504.db2.gz DMTKLAXHVKVHBG-OALUTQOASA-N 2 0 333.520 2.348 10 30 EEEERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001570571913 1343086876 /nfs/dbraw/zinc/08/68/76/1343086876.db2.gz LCFZWWFBALLPOP-UHFFFAOYSA-N 2 0 347.890 2.128 10 30 EEEERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001676973902 1357252573 /nfs/dbraw/zinc/25/25/73/1357252573.db2.gz CHXFTMZPYKYJTR-WOJBJXKFSA-N 2 0 339.483 2.008 10 30 EEEERP C=C(C[NH+](C)C)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC001632291077 1352595728 /nfs/dbraw/zinc/59/57/28/1352595728.db2.gz VUMVUQCDRSAQOP-UHFFFAOYSA-N 2 0 330.476 2.273 10 30 EEEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001664436553 1355163539 /nfs/dbraw/zinc/16/35/39/1355163539.db2.gz FCGPAGRBXRQXFF-QGZVFWFLSA-N 2 0 333.520 2.491 10 30 EEEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001666347542 1355514596 /nfs/dbraw/zinc/51/45/96/1355514596.db2.gz NETWIWRNJKQMNA-FQEVSTJZSA-N 2 0 327.472 2.454 10 30 EEEERP C#CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1CC[NH+](CCC)CC1 ZINC001671477157 1356346354 /nfs/dbraw/zinc/34/63/54/1356346354.db2.gz IRCSQLMXSMQYFO-KRWDZBQOSA-N 2 0 325.472 2.003 10 30 EEEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001671784730 1356413934 /nfs/dbraw/zinc/41/39/34/1356413934.db2.gz KSCGFMBSIKDEIA-OALUTQOASA-N 2 0 337.483 2.050 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC000939813273 777430550 /nfs/dbraw/zinc/43/05/50/777430550.db2.gz YQORSMYFRDIKEN-FXAWDEMLSA-N 2 0 343.515 2.269 10 30 EEEERP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743525 779230638 /nfs/dbraw/zinc/23/06/38/779230638.db2.gz CCPHQIVFQIRMCZ-IEBWSBKVSA-N 2 0 345.531 2.491 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001437002012 1088762111 /nfs/dbraw/zinc/76/21/11/1088762111.db2.gz KJDMQYXCACJBEA-HNNXBMFYSA-N 2 0 348.516 2.288 10 30 EEEERP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001438310934 1090788689 /nfs/dbraw/zinc/78/86/89/1090788689.db2.gz NCTSQWADWLEMBX-OALUTQOASA-N 2 0 342.487 2.417 10 30 EEEERP CC[C@H](C(=O)NC[C@H]([NH2+]Cc1cccc(C#N)c1)C(C)C)[NH+](C)C ZINC001438838906 1091469764 /nfs/dbraw/zinc/46/97/64/1091469764.db2.gz VVWNPRKDSIPUSD-ZWKOTPCHSA-N 2 0 330.476 2.129 10 30 EEEERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001440134957 1093200085 /nfs/dbraw/zinc/20/00/85/1093200085.db2.gz NKWIMIRNHJGHIN-GJZGRUSLSA-N 2 0 348.516 2.146 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cccc(C#N)c1 ZINC001440189229 1093252616 /nfs/dbraw/zinc/25/26/16/1093252616.db2.gz IOFZZNRWUOAICJ-RBUKOAKNSA-N 2 0 340.471 2.075 10 30 EEEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001449075524 1094089489 /nfs/dbraw/zinc/08/94/89/1094089489.db2.gz GUVLZABGSHDBSR-HNNXBMFYSA-N 2 0 327.900 2.442 10 30 EEEERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001441914640 1096090790 /nfs/dbraw/zinc/09/07/90/1096090790.db2.gz LMNIODDQSLYUNL-CYBMUJFWSA-N 2 0 334.489 2.088 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001442262391 1096565904 /nfs/dbraw/zinc/56/59/04/1096565904.db2.gz VJDLACYPVOTSPJ-UHFFFAOYSA-N 2 0 346.450 2.117 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H](C)[NH2+]CCCC)C2)CC1 ZINC001496460051 1101050810 /nfs/dbraw/zinc/05/08/10/1101050810.db2.gz LEVSBDLKGILINQ-MJGOQNOKSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001497200225 1102113736 /nfs/dbraw/zinc/11/37/36/1102113736.db2.gz ZCLKIGLEUFANEN-ZIAGYGMSSA-N 2 0 346.313 2.254 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)CCC[NH+](C)C ZINC001496145288 1102133834 /nfs/dbraw/zinc/13/38/34/1102133834.db2.gz PDPMCIAMIOLOGG-INIZCTEOSA-N 2 0 349.906 2.470 10 30 EEEERP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001497500298 1102588590 /nfs/dbraw/zinc/58/85/90/1102588590.db2.gz FEOKJAYJTWKGQI-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001447915023 1103586631 /nfs/dbraw/zinc/58/66/31/1103586631.db2.gz VJGXHXLBBDSLDB-LSDHHAIUSA-N 2 0 348.516 2.334 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCC2=CCCCC2)CC1 ZINC001497991183 1106746438 /nfs/dbraw/zinc/74/64/38/1106746438.db2.gz WJLSBEAMAVWQPF-QGZVFWFLSA-N 2 0 331.504 2.316 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001498106803 1106929519 /nfs/dbraw/zinc/92/95/19/1106929519.db2.gz WPTJENHFOQBBCP-HNNXBMFYSA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001480715490 1106945837 /nfs/dbraw/zinc/94/58/37/1106945837.db2.gz ZKHNQSWDBBDTMG-UXHICEINSA-N 2 0 339.483 2.085 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001479439932 1110696364 /nfs/dbraw/zinc/69/63/64/1110696364.db2.gz XDMFSLGNVHCLEG-XUVXKRRUSA-N 2 0 339.483 2.007 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001500048371 1112592192 /nfs/dbraw/zinc/59/21/92/1112592192.db2.gz JDLXURVQRLQWOZ-RUDMXATFSA-N 2 0 337.895 2.007 10 30 EEEERP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001502125688 1113602612 /nfs/dbraw/zinc/60/26/12/1113602612.db2.gz IMEQAQDRPMIYPR-SFHVURJKSA-N 2 0 349.519 2.036 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1 ZINC001502342479 1113636800 /nfs/dbraw/zinc/63/68/00/1113636800.db2.gz XFDDMZDXNFGTMN-IBGZPJMESA-N 2 0 327.472 2.065 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CC[C@@H](C)F)CC1 ZINC001505465490 1114000373 /nfs/dbraw/zinc/00/03/73/1114000373.db2.gz IPZLGBJYACXMMO-AEFFLSMTSA-N 2 0 337.483 2.003 10 30 EEEERP C=CCOCC[NH2+]C1CCC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001505789826 1114193801 /nfs/dbraw/zinc/19/38/01/1114193801.db2.gz CYGPVDFZQDQWKO-QLOJAFMTSA-N 2 0 349.519 2.034 10 30 EEEERP C=C(Cl)C[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001506523619 1114673108 /nfs/dbraw/zinc/67/31/08/1114673108.db2.gz YDMBQECETOAJQE-UHFFFAOYSA-N 2 0 325.884 2.243 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506934321 1114984977 /nfs/dbraw/zinc/98/49/77/1114984977.db2.gz UIVJEXXFHOAQGW-RDTXWAMCSA-N 2 0 346.450 2.166 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001507417274 1115258705 /nfs/dbraw/zinc/25/87/05/1115258705.db2.gz WNQCNQSCWXAACP-IEBWSBKVSA-N 2 0 327.472 2.260 10 30 EEEERP C=CCC[NH2+]C[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C(C)(C)C ZINC001507963340 1115381414 /nfs/dbraw/zinc/38/14/14/1115381414.db2.gz IXDGLMDPAYWKFL-INIZCTEOSA-N 2 0 339.524 2.041 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC(=C)C)[C@H](C)C2)CC1 ZINC001568369777 1124441954 /nfs/dbraw/zinc/44/19/54/1124441954.db2.gz VZVYVBWUQLFLLP-MJGOQNOKSA-N 2 0 331.504 2.124 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001568969053 1125005426 /nfs/dbraw/zinc/00/54/26/1125005426.db2.gz HJFHUWQIWVOSCU-HKDUCHBNSA-N 2 0 343.515 2.030 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569058707 1125071022 /nfs/dbraw/zinc/07/10/22/1125071022.db2.gz QOUKYRDEWNBOQH-HDMKZQKVSA-N 2 0 347.890 2.126 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000247597920 464697398 /nfs/dbraw/zinc/69/73/98/464697398.db2.gz SWIVOBUZYNCXGX-ZWKOTPCHSA-N 2 0 334.508 2.175 10 30 EEEERP CO[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451555593 467259289 /nfs/dbraw/zinc/25/92/89/467259289.db2.gz JBOZOJUIAFIYHZ-HDICACEKSA-N 2 0 336.520 2.484 10 30 EEEERP CCC[C@]1(CO)CCC[N@@H+]1CC#CC[NH+]1CCC[C@]1(CO)CCC ZINC000515470374 467993752 /nfs/dbraw/zinc/99/37/52/467993752.db2.gz SMNCNQWTMLCCMX-BGYRXZFFSA-N 2 0 336.520 2.244 10 30 EEEERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594435750 468585586 /nfs/dbraw/zinc/58/55/86/468585586.db2.gz JWKHMOPYALTTBQ-QGZVFWFLSA-N 2 0 334.439 2.127 10 30 EEEERP C=CCOc1ccccc1C[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663502200 471402455 /nfs/dbraw/zinc/40/24/55/471402455.db2.gz FFANXDSSKQAJOQ-UHFFFAOYSA-N 2 0 345.487 2.332 10 30 EEEERP CC[NH+]=C(NCc1ccc2c(c1)OCO2)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262015179 682847641 /nfs/dbraw/zinc/84/76/41/682847641.db2.gz XOASTFJYFFGJMZ-GDBMZVCRSA-N 2 0 346.475 2.199 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CCCC(C)C)C2)CC1 ZINC001485540818 1191828714 /nfs/dbraw/zinc/82/87/14/1191828714.db2.gz UZLJPPCVFLKJEI-KRWDZBQOSA-N 2 0 333.520 2.204 10 30 EEEERP C=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001485671855 1191890799 /nfs/dbraw/zinc/89/07/99/1191890799.db2.gz BBGVQBALZZXBGX-GOSISDBHSA-N 2 0 349.519 2.036 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCCC(C)C)C1 ZINC001267104286 1178251761 /nfs/dbraw/zinc/25/17/61/1178251761.db2.gz PHKMHSRDOOMDJW-MOPGFXCFSA-N 2 0 333.520 2.443 10 30 EEEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001267361940 1178838502 /nfs/dbraw/zinc/83/85/02/1178838502.db2.gz LYULVAQXNGJEOY-MOPGFXCFSA-N 2 0 327.472 2.351 10 30 EEEERP C[NH+](C)CCC(=O)NCCN(CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001481183107 1180018198 /nfs/dbraw/zinc/01/81/98/1180018198.db2.gz KLVGLORPZPIKGW-UHFFFAOYSA-N 2 0 347.890 2.224 10 30 EEEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001267733337 1180327827 /nfs/dbraw/zinc/32/78/27/1180327827.db2.gz LETXBCYQXIMMGR-OALUTQOASA-N 2 0 331.504 2.197 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CCC2CCCC2)CC1 ZINC001267831140 1180600594 /nfs/dbraw/zinc/60/05/94/1180600594.db2.gz LZBFZLKPZUBHEK-LJQANCHMSA-N 2 0 333.520 2.396 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)CCC[NH+]1CCCC1 ZINC001481317948 1181017831 /nfs/dbraw/zinc/01/78/31/1181017831.db2.gz NSCYRJMVEYIJQR-UHFFFAOYSA-N 2 0 334.489 2.044 10 30 EEEERP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC#Cc1ccccc1 ZINC001268214532 1182024282 /nfs/dbraw/zinc/02/42/82/1182024282.db2.gz YCSQGXUZOHLGGJ-IBGZPJMESA-N 2 0 341.499 2.253 10 30 EEEERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001268398806 1182480284 /nfs/dbraw/zinc/48/02/84/1182480284.db2.gz PLOGLFIHPCXJAP-CRAIPNDOSA-N 2 0 330.476 2.129 10 30 EEEERP C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001268695214 1183617448 /nfs/dbraw/zinc/61/74/48/1183617448.db2.gz RKLRNSJSYYYVQU-GJZGRUSLSA-N 2 0 327.432 2.330 10 30 EEEERP C=CCOCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001268763414 1183678409 /nfs/dbraw/zinc/67/84/09/1183678409.db2.gz LSZLDFQJWJUIIM-QZTJIDSGSA-N 2 0 349.519 2.082 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1ccnc1C(C)C ZINC001268769991 1183688400 /nfs/dbraw/zinc/68/84/00/1183688400.db2.gz FBUKJJIZKLCLJH-DLBZAZTESA-N 2 0 330.476 2.294 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CCCCC)C2)CC1 ZINC001269356735 1184204665 /nfs/dbraw/zinc/20/46/65/1184204665.db2.gz UDEUWMZPQSINMB-LJQANCHMSA-N 2 0 333.520 2.445 10 30 EEEERP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001269460538 1184282105 /nfs/dbraw/zinc/28/21/05/1184282105.db2.gz JINQTIHLOJTKST-GOSISDBHSA-N 2 0 345.462 2.003 10 30 EEEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001482228877 1184351892 /nfs/dbraw/zinc/35/18/92/1184351892.db2.gz OZAVNEUSQBOKHF-GJZGRUSLSA-N 2 0 327.900 2.488 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001271069342 1185855022 /nfs/dbraw/zinc/85/50/22/1185855022.db2.gz ZUYPCNYTYNTYOX-CRAIPNDOSA-N 2 0 347.890 2.222 10 30 EEEERP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001271112110 1185892505 /nfs/dbraw/zinc/89/25/05/1185892505.db2.gz HBKBVJDAOBRMKH-QRQLOZEOSA-N 2 0 329.488 2.344 10 30 EEEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001482475354 1186022568 /nfs/dbraw/zinc/02/25/68/1186022568.db2.gz ZOUGTMATAWHWHS-CVEARBPZSA-N 2 0 339.443 2.284 10 30 EEEERP C=CCC[NH2+][C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001271869451 1186565297 /nfs/dbraw/zinc/56/52/97/1186565297.db2.gz ONYBHTYKXCDDTL-QGZVFWFLSA-N 2 0 327.432 2.187 10 30 EEEERP C[NH+](C)CCCC(=O)NCC1([NH2+]CC#Cc2ccc(Cl)cc2)CC1 ZINC001670842431 1187432634 /nfs/dbraw/zinc/43/26/34/1187432634.db2.gz DYVLUMYUUMXVKY-UHFFFAOYSA-N 2 0 347.890 2.272 10 30 EEEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001670989218 1193539780 /nfs/dbraw/zinc/53/97/80/1193539780.db2.gz MNFBLXUUBGKCCA-OAHLLOKOSA-N 2 0 330.476 2.477 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001409406286 1189633976 /nfs/dbraw/zinc/63/39/76/1189633976.db2.gz LRKHWCBNJFMHMW-KGLIPLIRSA-N 2 0 346.450 2.022 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483244501 1190273183 /nfs/dbraw/zinc/27/31/83/1190273183.db2.gz ZJMWXSBTHJOHAK-WMLDXEAASA-N 2 0 348.516 2.334 10 30 EEEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001483587540 1190573385 /nfs/dbraw/zinc/57/33/85/1190573385.db2.gz HPEBZBCOUXEBKS-QAPCUYQASA-N 2 0 325.472 2.259 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC001486135860 1193691884 /nfs/dbraw/zinc/69/18/84/1193691884.db2.gz RJCLNMFWFJRHQG-LPHOPBHVSA-N 2 0 345.462 2.096 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCCC(C)(C)C)CC2)CC1 ZINC001483794014 1191033677 /nfs/dbraw/zinc/03/36/77/1191033677.db2.gz CKANJRHCCWZCDT-UHFFFAOYSA-N 2 0 333.520 2.396 10 30 EEEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001483817606 1191045442 /nfs/dbraw/zinc/04/54/42/1191045442.db2.gz SHJIHDJUMWEUSX-UHFFFAOYSA-N 2 0 331.504 2.055 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)Cc2ccsc2)CC1 ZINC001484769466 1191512366 /nfs/dbraw/zinc/51/23/66/1191512366.db2.gz VQAINGDDLVBFMK-UHFFFAOYSA-N 2 0 347.528 2.374 10 30 EEEERP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001484771266 1191513999 /nfs/dbraw/zinc/51/39/99/1191513999.db2.gz QTIXMCIACGYWDE-RTBURBONSA-N 2 0 333.520 2.302 10 30 EEEERP C#CCC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001484820792 1191540055 /nfs/dbraw/zinc/54/00/55/1191540055.db2.gz FSMKXNBXLOWNFY-IBGZPJMESA-N 2 0 333.520 2.493 10 30 EEEERP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001484833176 1191546461 /nfs/dbraw/zinc/54/64/61/1191546461.db2.gz YHWJEVLYOVLBHL-IBGZPJMESA-N 2 0 331.504 2.363 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001486252691 1193779769 /nfs/dbraw/zinc/77/97/69/1193779769.db2.gz HKJUTGPHVKIWAO-KGLIPLIRSA-N 2 0 347.425 2.273 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC/C=C\CCC)C1 ZINC001486467223 1193982153 /nfs/dbraw/zinc/98/21/53/1193982153.db2.gz QISGEPJHVGJTHO-RFIAEWFUSA-N 2 0 331.504 2.409 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273018787 1194325169 /nfs/dbraw/zinc/32/51/69/1194325169.db2.gz OSBGXQBEWLUUAA-GJZGRUSLSA-N 2 0 346.450 2.024 10 30 EEEERP C[NH+](C)C[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)C[C@H]1C[NH+](C)C ZINC000866012305 1198454260 /nfs/dbraw/zinc/45/42/60/1198454260.db2.gz XPMBIUNQWRXYMK-QZTJIDSGSA-N 2 0 337.471 2.282 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000900465581 1234384586 /nfs/dbraw/zinc/38/45/86/1234384586.db2.gz SPQFHWGITZJDMW-UHFFFAOYSA-N 2 0 344.503 2.055 10 30 EEEERP CC[C@@H](C(=O)NC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1)[NH+](C)C ZINC001490711397 1291597432 /nfs/dbraw/zinc/59/74/32/1291597432.db2.gz COCCNPAIAZWGFW-MOPGFXCFSA-N 2 0 345.462 2.002 10 30 EEEERP CC[NH+](CC)CCOc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852856640 1292216465 /nfs/dbraw/zinc/21/64/65/1292216465.db2.gz CWFXJAACKGSHKE-UHFFFAOYSA-N 2 0 343.471 2.349 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001277080374 1301185590 /nfs/dbraw/zinc/18/55/90/1301185590.db2.gz PWWOLOBIYJAILO-SFHVURJKSA-N 2 0 343.515 2.293 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001277362145 1302656035 /nfs/dbraw/zinc/65/60/35/1302656035.db2.gz BFEGTWSFJGEADG-QGZVFWFLSA-N 2 0 347.478 2.392 10 30 EEEERP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001277466346 1303450994 /nfs/dbraw/zinc/45/09/94/1303450994.db2.gz YIWGCCLLQOEXDM-FQEVSTJZSA-N 2 0 345.531 2.446 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C[NH2+]CCC(=C)C)C2CC2)CC1 ZINC001277734558 1304291955 /nfs/dbraw/zinc/29/19/55/1304291955.db2.gz GCIQNHQJULQGNK-LJQANCHMSA-N 2 0 331.504 2.124 10 30 EEEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001278632074 1317426585 /nfs/dbraw/zinc/42/65/85/1317426585.db2.gz FDMHHZUAKZNPOX-MSOLQXFVSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH+]1CCC[C@@H]2[C@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)[C@H]21 ZINC001264586642 1322741254 /nfs/dbraw/zinc/74/12/54/1322741254.db2.gz SDKPWGLVTWZGJH-NEWSRXKRSA-N 2 0 333.520 2.347 10 30 EEEERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001265061374 1322900333 /nfs/dbraw/zinc/90/03/33/1322900333.db2.gz OJSCTJCYXXHRAS-SFHVURJKSA-N 2 0 348.466 2.222 10 30 EEEERP C=C(C)C[NH2+]CCc1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001266088203 1323645763 /nfs/dbraw/zinc/64/57/63/1323645763.db2.gz OPAMZWZBHBOPOC-NRFANRHFSA-N 2 0 341.499 2.497 10 30 EEEERP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001281073087 1324753424 /nfs/dbraw/zinc/75/34/24/1324753424.db2.gz UMRDHSYELZJQJG-XLIONFOSSA-N 2 0 341.499 2.447 10 30 EEEERP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001283351191 1326024676 /nfs/dbraw/zinc/02/46/76/1326024676.db2.gz NOJHRWSYEBOWRQ-VQTJNVASSA-N 2 0 341.499 2.358 10 30 EEEERP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317584483 1332308864 /nfs/dbraw/zinc/30/88/64/1332308864.db2.gz GFYWLEBBOPFWCA-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001317652247 1332349935 /nfs/dbraw/zinc/34/99/35/1332349935.db2.gz HUHVNCJYEJFVRF-SFHVURJKSA-N 2 0 349.906 2.326 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001318805947 1332601802 /nfs/dbraw/zinc/60/18/02/1332601802.db2.gz TYFRRHCDSBJBDC-WBVHZDCISA-N 2 0 339.911 2.299 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001318999908 1332635176 /nfs/dbraw/zinc/63/51/76/1332635176.db2.gz GMVOJYOFDKXCFU-WOJBJXKFSA-N 2 0 339.483 2.433 10 30 EEEERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001320464630 1332890455 /nfs/dbraw/zinc/89/04/55/1332890455.db2.gz QJCVILUGRKBJPE-SUMWQHHRSA-N 2 0 334.439 2.022 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001320642811 1332927214 /nfs/dbraw/zinc/92/72/14/1332927214.db2.gz BCMVPMQJKQYYLG-QFBILLFUSA-N 2 0 342.487 2.417 10 30 EEEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001322605159 1333291997 /nfs/dbraw/zinc/29/19/97/1333291997.db2.gz OJANZVPARUCBOO-UHFFFAOYSA-N 2 0 333.823 2.072 10 30 EEEERP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001328693733 1334500315 /nfs/dbraw/zinc/50/03/15/1334500315.db2.gz MLURMYIHEGVSEG-QXAKKESOSA-N 2 0 327.472 2.276 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001332460973 1335829401 /nfs/dbraw/zinc/82/94/01/1335829401.db2.gz WBCOFYWRXKJWGN-UONOGXRCSA-N 2 0 347.425 2.131 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001332898302 1335927020 /nfs/dbraw/zinc/92/70/20/1335927020.db2.gz IJMXGBJNYZGQLD-DLBZAZTESA-N 2 0 339.524 2.041 10 30 EEEERP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001566879544 1342647276 /nfs/dbraw/zinc/64/72/76/1342647276.db2.gz OPZQFFILMOUZAE-MJGOQNOKSA-N 2 0 327.472 2.141 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676017866 1357089332 /nfs/dbraw/zinc/08/93/32/1357089332.db2.gz CXXBFCFAZVQAQH-GDBMZVCRSA-N 2 0 346.450 2.024 10 30 EEEERP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001569597393 1342905739 /nfs/dbraw/zinc/90/57/39/1342905739.db2.gz CLDCBBJQOOMEMT-UHFFFAOYSA-N 2 0 341.499 2.453 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCCCC)C2)CC1 ZINC001676974657 1357253103 /nfs/dbraw/zinc/25/31/03/1357253103.db2.gz LLBDUBQEWCTUEI-MJGOQNOKSA-N 2 0 333.520 2.396 10 30 EEEERP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001663537319 1354983120 /nfs/dbraw/zinc/98/31/20/1354983120.db2.gz MEVONVHWUTZGQY-MOPGFXCFSA-N 2 0 327.472 2.283 10 30 EEEERP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001666417451 1355524911 /nfs/dbraw/zinc/52/49/11/1355524911.db2.gz IGAJATVWFLOZHX-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CCCC1 ZINC001666800681 1355592686 /nfs/dbraw/zinc/59/26/86/1355592686.db2.gz YOYTVCWXQHNXSA-UHFFFAOYSA-N 2 0 337.508 2.082 10 30 EEEERP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001671908121 1356436667 /nfs/dbraw/zinc/43/66/67/1356436667.db2.gz PDLLMJOBHIAHQE-AZUAARDMSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCOCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001673376760 1356679917 /nfs/dbraw/zinc/67/99/17/1356679917.db2.gz UWMOZSABUCNKFQ-ZWKOTPCHSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001674771923 1356893518 /nfs/dbraw/zinc/89/35/18/1356893518.db2.gz COUBZSHOFQFBGV-SJORKVTESA-N 2 0 333.520 2.395 10 30 EEEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001675599018 1357011888 /nfs/dbraw/zinc/01/18/88/1357011888.db2.gz LGJYCTAAHSCDOL-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001699785286 1405483097 /nfs/dbraw/zinc/48/30/97/1405483097.db2.gz KEDHGMZAUABCBS-MRXNPFEDSA-N 2 0 325.472 2.003 10 30 EEEERP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001699878719 1405546038 /nfs/dbraw/zinc/54/60/38/1405546038.db2.gz AEZOOJOBUCPPKV-HXUWFJFHSA-N 2 0 333.520 2.494 10 30 EEEERP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940971845 779595083 /nfs/dbraw/zinc/59/50/83/779595083.db2.gz DPEVNCKCHVORNV-QZTJIDSGSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941075218 779794638 /nfs/dbraw/zinc/79/46/38/779794638.db2.gz ILASYAMJGUFPKI-MSOLQXFVSA-N 2 0 333.520 2.489 10 30 EEEERP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)[C@@H]1c1cccs1 ZINC000172838197 791781600 /nfs/dbraw/zinc/78/16/00/791781600.db2.gz ZAXDCZXMMUHXJA-IJEWVQPXSA-N 2 0 336.505 2.214 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001437338250 1089529522 /nfs/dbraw/zinc/52/95/22/1089529522.db2.gz WBLCVXITORFWAX-ROUUACIJSA-N 2 0 328.460 2.027 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001439182764 1091831371 /nfs/dbraw/zinc/83/13/71/1091831371.db2.gz UARLCXOGSOMBFG-PBHICJAKSA-N 2 0 348.516 2.334 10 30 EEEERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001439675429 1092616265 /nfs/dbraw/zinc/61/62/65/1092616265.db2.gz HVANLJIFTMQPIB-KBPBESRZSA-N 2 0 346.500 2.231 10 30 EEEERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001448557383 1093602673 /nfs/dbraw/zinc/60/26/73/1093602673.db2.gz ZUDJDVLWLPYHDZ-MOPGFXCFSA-N 2 0 342.487 2.273 10 30 EEEERP C#CC[N@@H+](C)CCCNC(=O)C1(c2ccccc2)CC[NH+](CC)CC1 ZINC001450494828 1094767032 /nfs/dbraw/zinc/76/70/32/1094767032.db2.gz XBKFJHIJQACEDT-UHFFFAOYSA-N 2 0 341.499 2.111 10 30 EEEERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001441936010 1096127981 /nfs/dbraw/zinc/12/79/81/1096127981.db2.gz FUAGLCHNJJJEGJ-DZKIICNBSA-N 2 0 346.450 2.022 10 30 EEEERP CC#CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[N@@H+](C)CCC ZINC001479613833 1098637250 /nfs/dbraw/zinc/63/72/50/1098637250.db2.gz OHZOUBVHQRWMFI-NZSAHSFTSA-N 2 0 333.520 2.347 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479831959 1099113809 /nfs/dbraw/zinc/11/38/09/1099113809.db2.gz VBJNTGKARWDSEP-RHSMWYFYSA-N 2 0 348.516 2.431 10 30 EEEERP CC(C)C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001496297257 1100883456 /nfs/dbraw/zinc/88/34/56/1100883456.db2.gz UATFXEHACXJFGL-RBUKOAKNSA-N 2 0 342.487 2.130 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H](C)[NH2+]CCCC)C2)CC1 ZINC001496460050 1101051427 /nfs/dbraw/zinc/05/14/27/1101051427.db2.gz LEVSBDLKGILINQ-IEBWSBKVSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001494673224 1104260450 /nfs/dbraw/zinc/26/04/50/1104260450.db2.gz QPYREPHVUXNBIZ-BXWFABGCSA-N 2 0 337.483 2.450 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480597329 1106734818 /nfs/dbraw/zinc/73/48/18/1106734818.db2.gz OXRIAXGVSGPDPN-VQIMIIECSA-N 2 0 345.462 2.146 10 30 EEEERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001498098587 1106917286 /nfs/dbraw/zinc/91/72/86/1106917286.db2.gz DKKPNFAINSXLMO-LPHOPBHVSA-N 2 0 342.487 2.275 10 30 EEEERP CC#CC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001493863308 1108755170 /nfs/dbraw/zinc/75/51/70/1108755170.db2.gz ADZSVQFQCUXFKL-UHFFFAOYSA-N 2 0 326.444 2.496 10 30 EEEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001500404280 1112806407 /nfs/dbraw/zinc/80/64/07/1112806407.db2.gz CACKSHMFOFRONQ-ICSRJNTNSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2(C)CC[NH+](CCC3CC3)CC2)CC1 ZINC001500461917 1112850246 /nfs/dbraw/zinc/85/02/46/1112850246.db2.gz CBWGPCTVLFIHOW-UHFFFAOYSA-N 2 0 345.531 2.350 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC/C=C\CC)C2)CC1 ZINC001505537913 1114039197 /nfs/dbraw/zinc/03/91/97/1114039197.db2.gz PLLUYZCCBAXDFP-WAYWQWQTSA-N 2 0 331.504 2.172 10 30 EEEERP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)C(C)(C)C ZINC001508023157 1115390690 /nfs/dbraw/zinc/39/06/90/1115390690.db2.gz NQJHCAICUAGXBQ-LJQANCHMSA-N 2 0 343.515 2.305 10 30 EEEERP C#CCC[NH2+]CCC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001568096735 1124300338 /nfs/dbraw/zinc/30/03/38/1124300338.db2.gz IJKRTIMFFCQNFA-UHFFFAOYSA-N 2 0 345.531 2.350 10 30 EEEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001568121480 1124315119 /nfs/dbraw/zinc/31/51/19/1124315119.db2.gz BBEMWSYFQMIJIY-UHFFFAOYSA-N 2 0 327.472 2.454 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC2CC[NH+](CCCC)CC2)CC1 ZINC001568132229 1124320159 /nfs/dbraw/zinc/32/01/59/1124320159.db2.gz RLFMWPLLFSCWQY-UHFFFAOYSA-N 2 0 333.520 2.350 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]Cc2cccc(F)c2)CC1 ZINC001568713870 1124731122 /nfs/dbraw/zinc/73/11/22/1124731122.db2.gz KGGHMXDCUMIXMX-INIZCTEOSA-N 2 0 345.462 2.155 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC=C(Cl)Cl)CC1 ZINC001568714844 1124732530 /nfs/dbraw/zinc/73/25/30/1124732530.db2.gz ZYTIHHXLKVFWCF-CYBMUJFWSA-N 2 0 346.302 2.135 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000073436779 463612512 /nfs/dbraw/zinc/61/25/12/463612512.db2.gz WMGCLGVXDZXFSF-UHFFFAOYSA-N 2 0 342.487 2.373 10 30 EEEERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438651 468586399 /nfs/dbraw/zinc/58/63/99/468586399.db2.gz PHLPYIJAQNJHMS-BHIYHBOVSA-N 2 0 342.487 2.424 10 30 EEEERP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000600740191 468644252 /nfs/dbraw/zinc/64/42/52/468644252.db2.gz HDBYJMQGNVQCRX-KRWDZBQOSA-N 2 0 343.471 2.304 10 30 EEEERP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cccc(-n2cccn2)c1C#N ZINC000596362851 469251182 /nfs/dbraw/zinc/25/11/82/469251182.db2.gz OZUOIGZFNYQEMM-INIZCTEOSA-N 2 0 340.475 2.428 10 30 EEEERP C=CC[C@]1(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662700045 472215147 /nfs/dbraw/zinc/21/51/47/472215147.db2.gz JHKJZDDPVWNOHY-LJQANCHMSA-N 2 0 344.459 2.214 10 30 EEEERP COc1ccc(CNC(=[NH2+])NCC[N@H+](C)C2CCCCC2)cc1OC ZINC000303872585 686927684 /nfs/dbraw/zinc/92/76/84/686927684.db2.gz CCEQQPUINAVDLE-UHFFFAOYSA-N 2 0 348.491 2.373 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001266732793 1177320196 /nfs/dbraw/zinc/32/01/96/1177320196.db2.gz NQONUASRZMATPZ-SFHVURJKSA-N 2 0 349.906 2.326 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCC(=C)C)CC1 ZINC001266884473 1177701693 /nfs/dbraw/zinc/70/16/93/1177701693.db2.gz PIXBURDQNAXUQA-IBGZPJMESA-N 2 0 331.504 2.269 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC(=C)Cl)CC1 ZINC001267191405 1178464352 /nfs/dbraw/zinc/46/43/52/1178464352.db2.gz ULJSJGDYFDJKQR-RDJZCZTQSA-N 2 0 337.895 2.053 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267685038 1180157457 /nfs/dbraw/zinc/15/74/57/1180157457.db2.gz XDSVTJPFKAOUSG-LPHOPBHVSA-N 2 0 337.483 2.003 10 30 EEEERP C#CC[NH+]1CCC(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001267947224 1180807984 /nfs/dbraw/zinc/80/79/84/1180807984.db2.gz MOFHISZPCPDOQK-UHFFFAOYSA-N 2 0 341.499 2.256 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ccc(C#N)s1 ZINC001481880829 1182863495 /nfs/dbraw/zinc/86/34/95/1182863495.db2.gz HQYWINGWXMPXBG-WMLDXEAASA-N 2 0 348.516 2.479 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481985938 1183088909 /nfs/dbraw/zinc/08/89/09/1183088909.db2.gz XMCGPIQEAJCLSJ-OAHLLOKOSA-N 2 0 327.900 2.299 10 30 EEEERP C=CCOCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001268763416 1183678542 /nfs/dbraw/zinc/67/85/42/1183678542.db2.gz LSZLDFQJWJUIIM-ZWKOTPCHSA-N 2 0 349.519 2.082 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001482202258 1183922966 /nfs/dbraw/zinc/92/29/66/1183922966.db2.gz LDWVIHUVPBVGAZ-IBGZPJMESA-N 2 0 345.487 2.145 10 30 EEEERP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001691508401 1185363959 /nfs/dbraw/zinc/36/39/59/1185363959.db2.gz NCWIXRSISFVISF-MOPGFXCFSA-N 2 0 340.471 2.123 10 30 EEEERP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271099880 1185886561 /nfs/dbraw/zinc/88/65/61/1185886561.db2.gz GTISGJCSRDOMBY-INIZCTEOSA-N 2 0 343.462 2.368 10 30 EEEERP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001271853765 1186554048 /nfs/dbraw/zinc/55/40/48/1186554048.db2.gz MRJRUEREPQOYIP-ZCNNSNEGSA-N 2 0 345.531 2.465 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001482698696 1187668404 /nfs/dbraw/zinc/66/84/04/1187668404.db2.gz RPFQAXBAAPOYBM-RBUKOAKNSA-N 2 0 327.472 2.260 10 30 EEEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001670937293 1193529664 /nfs/dbraw/zinc/52/96/64/1193529664.db2.gz JIBCOFIEFRZMFT-WJXKREEZSA-N 2 0 331.504 2.242 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001670984509 1193538395 /nfs/dbraw/zinc/53/83/95/1193538395.db2.gz AGURYKSEOMJSAD-FQEVSTJZSA-N 2 0 345.531 2.443 10 30 EEEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001670985450 1193538919 /nfs/dbraw/zinc/53/89/19/1193538919.db2.gz RSYGRYHHTVDXAB-IAGOWNOFSA-N 2 0 328.460 2.402 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1 ZINC001483097892 1188473627 /nfs/dbraw/zinc/47/36/27/1188473627.db2.gz NIANLDAJLGMSNS-VYRCICMXSA-N 2 0 340.471 2.193 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001483144171 1188750778 /nfs/dbraw/zinc/75/07/78/1188750778.db2.gz RGUHSUYFTBRPLO-APWZRJJASA-N 2 0 342.487 2.273 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001486093823 1193679391 /nfs/dbraw/zinc/67/93/91/1193679391.db2.gz QESRHMOVJGUHGM-KBXCAEBGSA-N 2 0 346.450 2.118 10 30 EEEERP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001483681060 1190742339 /nfs/dbraw/zinc/74/23/39/1190742339.db2.gz CUHHAZOHJOMTFK-AQNXPRMDSA-N 2 0 341.499 2.489 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001272302907 1190752287 /nfs/dbraw/zinc/75/22/87/1190752287.db2.gz WMQCGFXIVVNWRU-PMACEKPBSA-N 2 0 341.499 2.254 10 30 EEEERP CC#CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCCCC1 ZINC001483813901 1191059192 /nfs/dbraw/zinc/05/91/92/1191059192.db2.gz LDUBXQKWWPZNJN-FQEVSTJZSA-N 2 0 345.531 2.493 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001486252692 1193779967 /nfs/dbraw/zinc/77/99/67/1193779967.db2.gz HKJUTGPHVKIWAO-UONOGXRCSA-N 2 0 347.425 2.273 10 30 EEEERP C=CC[C@@]1(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)CCC[NH2+]1 ZINC000877224634 1199883761 /nfs/dbraw/zinc/88/37/61/1199883761.db2.gz LJXLANBIDHBWOB-NRFANRHFSA-N 2 0 341.499 2.465 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001275572052 1205423015 /nfs/dbraw/zinc/42/30/15/1205423015.db2.gz SUGLWJOFHWFKFV-DLBZAZTESA-N 2 0 333.520 2.395 10 30 EEEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001275709226 1205493840 /nfs/dbraw/zinc/49/38/40/1205493840.db2.gz DMBLUTRJZGMIFW-INIZCTEOSA-N 2 0 332.492 2.404 10 30 EEEERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CC#Cc1ccc(Cl)cc1 ZINC001276001916 1205628751 /nfs/dbraw/zinc/62/87/51/1205628751.db2.gz IISNIAWWVYECBQ-RDJZCZTQSA-N 2 0 347.890 2.080 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000900250284 1234122698 /nfs/dbraw/zinc/12/26/98/1234122698.db2.gz XAEQEZLXXRADPJ-UHFFFAOYSA-N 2 0 330.476 2.275 10 30 EEEERP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001489336595 1290520060 /nfs/dbraw/zinc/52/00/60/1290520060.db2.gz CCPUAMPYPRVHRZ-UHFFFAOYSA-N 2 0 348.516 2.035 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cc(C)ccc1C ZINC001490208065 1290999906 /nfs/dbraw/zinc/99/99/06/1290999906.db2.gz DXVUKXDJIMDTJZ-FQEVSTJZSA-N 2 0 341.499 2.339 10 30 EEEERP CC[NH+](CC)[C@H](CNC(=O)C#CC1CC[NH2+]CC1)c1ccsc1 ZINC000852859066 1292217821 /nfs/dbraw/zinc/21/78/21/1292217821.db2.gz NITQMPXDPQARBR-QGZVFWFLSA-N 2 0 333.501 2.250 10 30 EEEERP C#CCOCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856605752 1293580173 /nfs/dbraw/zinc/58/01/73/1293580173.db2.gz DXRYYDPTAUPEAQ-IBGZPJMESA-N 2 0 331.460 2.025 10 30 EEEERP C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001276799119 1297874740 /nfs/dbraw/zinc/87/47/40/1297874740.db2.gz HMWJDZGVWOFOHK-SJORKVTESA-N 2 0 339.524 2.136 10 30 EEEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001278503349 1310877346 /nfs/dbraw/zinc/87/73/46/1310877346.db2.gz BJOVCHPPFRBCRU-AZUAARDMSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001278632077 1317426474 /nfs/dbraw/zinc/42/64/74/1317426474.db2.gz FDMHHZUAKZNPOX-ZWKOTPCHSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1CC ZINC001278968918 1318871170 /nfs/dbraw/zinc/87/11/70/1318871170.db2.gz BLCZCYFUCNQEMK-HXUWFJFHSA-N 2 0 341.499 2.361 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001263880265 1322545572 /nfs/dbraw/zinc/54/55/72/1322545572.db2.gz IOYSPXCEUPJHHP-BJLQDIEVSA-N 2 0 347.547 2.498 10 30 EEEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001264677996 1322779704 /nfs/dbraw/zinc/77/97/04/1322779704.db2.gz NCAPZWHDJSKLGG-IRXDYDNUSA-N 2 0 325.472 2.050 10 30 EEEERP C=CCOCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001265292098 1323043034 /nfs/dbraw/zinc/04/30/34/1323043034.db2.gz GGDVHSBDHKOMPA-MRXNPFEDSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H](C)[NH2+]CC(=C)C)CC1 ZINC001266010651 1323562318 /nfs/dbraw/zinc/56/23/18/1323562318.db2.gz LNQJAGQUABBAJI-PKOBYXMFSA-N 2 0 331.504 2.267 10 30 EEEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001266102910 1323667757 /nfs/dbraw/zinc/66/77/57/1323667757.db2.gz NIWQANQKIYUOQF-MOPGFXCFSA-N 2 0 331.504 2.340 10 30 EEEERP C=CCOCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001279653360 1323971090 /nfs/dbraw/zinc/97/10/90/1323971090.db2.gz AIOYLZABZNUMHK-LJQANCHMSA-N 2 0 349.519 2.200 10 30 EEEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001281031338 1324730333 /nfs/dbraw/zinc/73/03/33/1324730333.db2.gz PDXJOEBGYZRRFO-MSOLQXFVSA-N 2 0 331.504 2.387 10 30 EEEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001283503798 1326102412 /nfs/dbraw/zinc/10/24/12/1326102412.db2.gz WUUDEHQKRWVEDT-HKUYNNGSSA-N 2 0 331.504 2.101 10 30 EEEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001284374738 1326526434 /nfs/dbraw/zinc/52/64/34/1326526434.db2.gz RTAQDCHNBQKRQO-LSDHHAIUSA-N 2 0 347.425 2.275 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492067396 1330440574 /nfs/dbraw/zinc/44/05/74/1330440574.db2.gz GGWLDDUTJAXOON-CYBMUJFWSA-N 2 0 346.313 2.254 10 30 EEEERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001492078574 1330985445 /nfs/dbraw/zinc/98/54/45/1330985445.db2.gz VRQCTYSLHAJUSV-HNNXBMFYSA-N 2 0 335.879 2.128 10 30 EEEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317432955 1332236716 /nfs/dbraw/zinc/23/67/16/1332236716.db2.gz WMOJJPCZSSCWFI-LJQANCHMSA-N 2 0 327.472 2.356 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CCC2CCCC2)CC1 ZINC001317492231 1332264695 /nfs/dbraw/zinc/26/46/95/1332264695.db2.gz JLSBRAOUUJULJQ-UHFFFAOYSA-N 2 0 333.520 2.350 10 30 EEEERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001318570708 1332562457 /nfs/dbraw/zinc/56/24/57/1332562457.db2.gz PUAHOZDHHHCNMF-QFBILLFUSA-N 2 0 345.462 2.003 10 30 EEEERP CC(C)C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001319606816 1332728284 /nfs/dbraw/zinc/72/82/84/1332728284.db2.gz ZJOFPMVNHDYYIW-UXHICEINSA-N 2 0 341.499 2.253 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC(C)C)[C@H](C)C2)CC1 ZINC001319710855 1332747808 /nfs/dbraw/zinc/74/78/08/1332747808.db2.gz NGLKGFAJQVVIPZ-IEBWSBKVSA-N 2 0 333.520 2.204 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CCCC(C)(C)C)CC1 ZINC001321416931 1333098784 /nfs/dbraw/zinc/09/87/84/1333098784.db2.gz MNCUQVQPDQGOIW-VOTSOKGWSA-N 2 0 333.520 2.420 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC3=CCCCC3)CC2)CC1 ZINC001323615973 1333498944 /nfs/dbraw/zinc/49/89/44/1333498944.db2.gz FAPWUVRAKFCWCN-UHFFFAOYSA-N 2 0 329.488 2.070 10 30 EEEERP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001324442360 1333685398 /nfs/dbraw/zinc/68/53/98/1333685398.db2.gz ZAWFWVKFPJRLDY-MRXNPFEDSA-N 2 0 325.472 2.001 10 30 EEEERP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001325577100 1333915414 /nfs/dbraw/zinc/91/54/14/1333915414.db2.gz URTWCPMTVUEZEM-APWZRJJASA-N 2 0 327.472 2.069 10 30 EEEERP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001325915066 1333992521 /nfs/dbraw/zinc/99/25/21/1333992521.db2.gz CFWUXWZRNLTEJC-RBUKOAKNSA-N 2 0 331.504 2.341 10 30 EEEERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001326411021 1334087582 /nfs/dbraw/zinc/08/75/82/1334087582.db2.gz GLLYUHOSSHKXLI-PBHICJAKSA-N 2 0 348.516 2.288 10 30 EEEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001326468358 1334099436 /nfs/dbraw/zinc/09/94/36/1334099436.db2.gz LGEXYGNNFWVOGZ-MRXNPFEDSA-N 2 0 327.472 2.461 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001330708551 1334889678 /nfs/dbraw/zinc/88/96/78/1334889678.db2.gz OJIIAJAEJGSMCM-SAABIXHNSA-N 2 0 333.520 2.252 10 30 EEEERP CC#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1(C)C ZINC001332400733 1335818188 /nfs/dbraw/zinc/81/81/88/1335818188.db2.gz ZAOBITQAXGNIKP-KRWDZBQOSA-N 2 0 333.520 2.489 10 30 EEEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001332898305 1335926964 /nfs/dbraw/zinc/92/69/64/1335926964.db2.gz IJMXGBJNYZGQLD-SJORKVTESA-N 2 0 339.524 2.041 10 30 EEEERP C=CC[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001566877562 1342646089 /nfs/dbraw/zinc/64/60/89/1342646089.db2.gz AGOAGFJVVGNZOW-LJQANCHMSA-N 2 0 329.488 2.175 10 30 EEEERP CC[C@H](C(=O)N(C)CC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001567591146 1342789161 /nfs/dbraw/zinc/78/91/61/1342789161.db2.gz YNKFRZSLHKCFRW-QGZVFWFLSA-N 2 0 335.879 2.080 10 30 EEEERP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001569843045 1342956432 /nfs/dbraw/zinc/95/64/32/1342956432.db2.gz IQODMNDNQAGRSB-HKUYNNGSSA-N 2 0 341.499 2.112 10 30 EEEERP C=C(C)C[NH+]1CC=C(CNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001571695561 1343278226 /nfs/dbraw/zinc/27/82/26/1343278226.db2.gz RYJJQPDXCOIGED-UHFFFAOYSA-N 2 0 341.499 2.485 10 30 EEEERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001676355105 1357139907 /nfs/dbraw/zinc/13/99/07/1357139907.db2.gz HAAZBFLIYDTOHC-IEBWSBKVSA-N 2 0 347.478 2.155 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001676487462 1357156559 /nfs/dbraw/zinc/15/65/59/1357156559.db2.gz DLJLERXVJJKIEU-KRWDZBQOSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](F)C[NH+](CC)CC)C2)CC1 ZINC001656394532 1354227424 /nfs/dbraw/zinc/22/74/24/1354227424.db2.gz VXAINWAWXLFSSB-IRXDYDNUSA-N 2 0 337.483 2.003 10 30 EEEERP C=CCc1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc(OC)c1O ZINC001656680877 1354264305 /nfs/dbraw/zinc/26/43/05/1354264305.db2.gz NJENAJDMGWVWMG-UHFFFAOYSA-N 2 0 347.503 2.245 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1ccnc1CC ZINC001657063424 1354314618 /nfs/dbraw/zinc/31/46/18/1354314618.db2.gz OAVRYUYXFXHCAO-IRXDYDNUSA-N 2 0 330.476 2.343 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001664859829 1355244963 /nfs/dbraw/zinc/24/49/63/1355244963.db2.gz XMHPGQBHBIIRIK-MOPGFXCFSA-N 2 0 333.520 2.301 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001668868866 1356029685 /nfs/dbraw/zinc/02/96/85/1356029685.db2.gz SWMBIBCVLFOGDU-XJDXJNMNSA-N 2 0 339.483 2.175 10 30 EEEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001674352947 1356823303 /nfs/dbraw/zinc/82/33/03/1356823303.db2.gz JKHBWGCWMZFYOT-IBGZPJMESA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001674510204 1356852002 /nfs/dbraw/zinc/85/20/02/1356852002.db2.gz GJQSNHJDQXZYHY-IBGZPJMESA-N 2 0 333.520 2.302 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001698932140 1405170082 /nfs/dbraw/zinc/17/00/82/1405170082.db2.gz BAMDHKDBJHAHRH-XLIONFOSSA-N 2 0 345.531 2.348 10 30 EEEERP CC[N@H+](C)CCC(=O)N(C)CCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001699545827 1405379648 /nfs/dbraw/zinc/37/96/48/1405379648.db2.gz DOBLLPALUINFQJ-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC001699798722 1405490256 /nfs/dbraw/zinc/49/02/56/1405490256.db2.gz KAISRFIDAOJSTJ-LJQANCHMSA-N 2 0 327.472 2.260 10 30 EEEERP C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001566003519 1125496504 /nfs/dbraw/zinc/49/65/04/1125496504.db2.gz BJYOAKIWWIMDIE-OALUTQOASA-N 2 0 345.487 2.107 10 30 EEEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1CC ZINC001566025074 1125502915 /nfs/dbraw/zinc/50/29/15/1125502915.db2.gz DSOHSPMZIPWFRF-OTWHNJEPSA-N 2 0 327.472 2.282 10 30 EEEERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC001566563624 1125739075 /nfs/dbraw/zinc/73/90/75/1125739075.db2.gz AYZDHAAIAARJSU-UHFFFAOYSA-N 2 0 342.487 2.228 10 30 EEEERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001445446397 1091207941 /nfs/dbraw/zinc/20/79/41/1091207941.db2.gz MBVPHBFNDYADAT-VQIMIIECSA-N 2 0 342.487 2.415 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001448532322 1093566923 /nfs/dbraw/zinc/56/69/23/1093566923.db2.gz ZHWGYPRZBDHBEQ-KOMQPUFPSA-N 2 0 327.900 2.344 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001441936428 1096129715 /nfs/dbraw/zinc/12/97/15/1096129715.db2.gz KRWMGEIZYYVPED-KBPBESRZSA-N 2 0 346.313 2.111 10 30 EEEERP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001479597607 1098625183 /nfs/dbraw/zinc/62/51/83/1098625183.db2.gz PBYQOPHCKCKBOK-IPMKNSEASA-N 2 0 333.520 2.348 10 30 EEEERP C=C(Br)C[NH2+]C[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001444136394 1098650135 /nfs/dbraw/zinc/65/01/35/1098650135.db2.gz UKGBSDQROJCICS-UKRRQHHQSA-N 2 0 346.313 2.110 10 30 EEEERP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001480363912 1100138580 /nfs/dbraw/zinc/13/85/80/1100138580.db2.gz CRFAYKRNEIHDSA-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001480382944 1100177478 /nfs/dbraw/zinc/17/74/78/1100177478.db2.gz MEOYSFMNGFEGSF-ICSRJNTNSA-N 2 0 341.499 2.011 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]Cc2ccccc2)CC1 ZINC001495146046 1100815483 /nfs/dbraw/zinc/81/54/83/1100815483.db2.gz UXTRIFJHASLROK-IBGZPJMESA-N 2 0 327.472 2.016 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CCCC=C)CCCC2)CC1 ZINC001495211175 1100894011 /nfs/dbraw/zinc/89/40/11/1100894011.db2.gz LLOVXQKDISUVBO-UHFFFAOYSA-N 2 0 331.504 2.316 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001496401938 1100994689 /nfs/dbraw/zinc/99/46/89/1100994689.db2.gz NSPRDHSGMOLHLV-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H](C)[NH2+]CCCC)C2)CC1 ZINC001496460048 1101050749 /nfs/dbraw/zinc/05/07/49/1101050749.db2.gz LEVSBDLKGILINQ-HKUYNNGSSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001447438616 1102655543 /nfs/dbraw/zinc/65/55/43/1102655543.db2.gz KMRIVTCFILDFRJ-QGZVFWFLSA-N 2 0 327.900 2.395 10 30 EEEERP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001479401011 1110691634 /nfs/dbraw/zinc/69/16/34/1110691634.db2.gz WSNUZFLFAGSOEE-MPGHIAIKSA-N 2 0 325.472 2.259 10 30 EEEERP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001500018897 1112581163 /nfs/dbraw/zinc/58/11/63/1112581163.db2.gz QZXXUKNCWGLXPK-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCCC)C3)CC1 ZINC001501012945 1113166460 /nfs/dbraw/zinc/16/64/60/1113166460.db2.gz FQDWODLEDGMYCQ-IHPCNDPISA-N 2 0 345.531 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]C[C@@H](F)CC)CC1 ZINC001501898551 1113515093 /nfs/dbraw/zinc/51/50/93/1113515093.db2.gz QPZZVEMNCHFLCX-ZWKOTPCHSA-N 2 0 337.483 2.050 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001502058641 1113572615 /nfs/dbraw/zinc/57/26/15/1113572615.db2.gz VZWQBUSQMVREPY-MOPGFXCFSA-N 2 0 349.519 2.177 10 30 EEEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001505507110 1114028381 /nfs/dbraw/zinc/02/83/81/1114028381.db2.gz XRIFOXSJBMMHJY-UHFFFAOYSA-N 2 0 345.834 2.118 10 30 EEEERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001507156295 1115138556 /nfs/dbraw/zinc/13/85/56/1115138556.db2.gz XADMUFZGWAAIIL-DOTOQJQBSA-N 2 0 347.890 2.080 10 30 EEEERP C#CCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001507372041 1115230503 /nfs/dbraw/zinc/23/05/03/1115230503.db2.gz DNRMQVHPUWCKNW-MSOLQXFVSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH2+]CCC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001568094154 1124297784 /nfs/dbraw/zinc/29/77/84/1124297784.db2.gz SIITXGWMTZBWEU-UHFFFAOYSA-N 2 0 341.499 2.256 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001568363056 1124438583 /nfs/dbraw/zinc/43/85/83/1124438583.db2.gz NUIJPBMLWUREBA-PKOBYXMFSA-N 2 0 333.520 2.491 10 30 EEEERP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000092426562 159220248 /nfs/dbraw/zinc/22/02/48/159220248.db2.gz ULARBDWGTKXCRE-UHFFFAOYSA-N 2 0 346.475 2.067 10 30 EEEERP C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)cc1F ZINC000358564923 465195667 /nfs/dbraw/zinc/19/56/67/465195667.db2.gz YHRURONZUWASIA-KSSFIOAISA-N 2 0 346.450 2.291 10 30 EEEERP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])NC2CCCCC2)CCC[N@@H+]1C ZINC000262681930 687921044 /nfs/dbraw/zinc/92/10/44/687921044.db2.gz WNZKJPIIAYBOHX-WMLDXEAASA-N 2 0 332.496 2.040 10 30 EEEERP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001485656117 1191874134 /nfs/dbraw/zinc/87/41/34/1191874134.db2.gz BXILHXIBVUSRGL-GBESFXJTSA-N 2 0 331.504 2.102 10 30 EEEERP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001485658880 1191879254 /nfs/dbraw/zinc/87/92/54/1191879254.db2.gz ZRLHHDZVNHTYRZ-FHWLQOOXSA-N 2 0 331.504 2.102 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001266787002 1177427986 /nfs/dbraw/zinc/42/79/86/1177427986.db2.gz RGAOUTTYZPABBA-RBUKOAKNSA-N 2 0 345.531 2.493 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266878795 1177690642 /nfs/dbraw/zinc/69/06/42/1177690642.db2.gz MMDVAXXZNOCYBE-APWZRJJASA-N 2 0 337.483 2.193 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267088160 1178213196 /nfs/dbraw/zinc/21/31/96/1178213196.db2.gz XUBVWAMBWHXDJP-UXHICEINSA-N 2 0 341.499 2.397 10 30 EEEERP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001267123960 1178291445 /nfs/dbraw/zinc/29/14/45/1178291445.db2.gz ZGXDIXLMDDJNEA-CRAIPNDOSA-N 2 0 347.890 2.270 10 30 EEEERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001268014189 1180977458 /nfs/dbraw/zinc/97/74/58/1180977458.db2.gz MVMNUAFSBWZLIY-MRXNPFEDSA-N 2 0 347.890 2.129 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001268413991 1182566751 /nfs/dbraw/zinc/56/67/51/1182566751.db2.gz PLOGLFIHPCXJAP-YJBOKZPZSA-N 2 0 330.476 2.129 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001268414338 1182568722 /nfs/dbraw/zinc/56/87/22/1182568722.db2.gz SUTPWKRCQYZUEZ-APWZRJJASA-N 2 0 347.478 2.248 10 30 EEEERP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001481820647 1182749480 /nfs/dbraw/zinc/74/94/80/1182749480.db2.gz GWTDTIUUFVKEEF-MOPGFXCFSA-N 2 0 342.487 2.417 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@](C)(C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001481952748 1183023832 /nfs/dbraw/zinc/02/38/32/1183023832.db2.gz TWZXVFADHAHLEX-SFHVURJKSA-N 2 0 348.516 2.334 10 30 EEEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001482019531 1183144169 /nfs/dbraw/zinc/14/41/69/1183144169.db2.gz LLHUFENRUXWXFO-WGSAOQKQSA-N 2 0 341.499 2.445 10 30 EEEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268550551 1183234074 /nfs/dbraw/zinc/23/40/74/1183234074.db2.gz QLNIXIRXYKMBRP-APHBUQMISA-N 2 0 325.884 2.408 10 30 EEEERP C=C(Br)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268958542 1183851096 /nfs/dbraw/zinc/85/10/96/1183851096.db2.gz LQJQJWBYPNMKDN-AWEZNQCLSA-N 2 0 346.313 2.208 10 30 EEEERP CC[C@@H](C(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCC1)[NH+](C)C ZINC001482235352 1184460629 /nfs/dbraw/zinc/46/06/29/1184460629.db2.gz BSORWKJYYBCXKT-IBGZPJMESA-N 2 0 341.499 2.397 10 30 EEEERP C=CCOCC[NH2+]CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001269877069 1184686686 /nfs/dbraw/zinc/68/66/86/1184686686.db2.gz AVVSFFXQZCNZRZ-UHFFFAOYSA-N 2 0 349.519 2.036 10 30 EEEERP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN(C)Cc1ccccc1 ZINC001272054391 1187291804 /nfs/dbraw/zinc/29/18/04/1187291804.db2.gz VJICAJCYEDCKNN-PMACEKPBSA-N 2 0 339.483 2.207 10 30 EEEERP C=C(Br)C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001409515145 1189967694 /nfs/dbraw/zinc/96/76/94/1189967694.db2.gz RYJLDLHIKYEEIQ-UHFFFAOYSA-N 2 0 346.313 2.065 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001486133398 1193690696 /nfs/dbraw/zinc/69/06/96/1193690696.db2.gz BUKIUBIQRVGZOL-PBHICJAKSA-N 2 0 346.450 2.117 10 30 EEEERP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCCn3ccnc3C)C2)C1 ZINC001483832857 1191070454 /nfs/dbraw/zinc/07/04/54/1191070454.db2.gz GHTQVMUBVKMRSB-HXUWFJFHSA-N 2 0 342.487 2.310 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001485039875 1191627930 /nfs/dbraw/zinc/62/79/30/1191627930.db2.gz JRFIFDRBHAAAEC-IBGZPJMESA-N 2 0 327.472 2.356 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001485059858 1191638831 /nfs/dbraw/zinc/63/88/31/1191638831.db2.gz DQCAWRURPRCQQC-SFHVURJKSA-N 2 0 333.520 2.445 10 30 EEEERP C=CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001485442811 1191786829 /nfs/dbraw/zinc/78/68/29/1191786829.db2.gz BJSXDVUCJOZGTP-PKOBYXMFSA-N 2 0 349.519 2.177 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001486210547 1193750679 /nfs/dbraw/zinc/75/06/79/1193750679.db2.gz NEQDVHPZQMSIBW-YOEHRIQHSA-N 2 0 346.450 2.024 10 30 EEEERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1C[NH+](C)C ZINC000870019332 1200410902 /nfs/dbraw/zinc/41/09/02/1200410902.db2.gz FDAGTTANLRKFGV-HZPDHXFCSA-N 2 0 348.878 2.023 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000928656939 1206408253 /nfs/dbraw/zinc/40/82/53/1206408253.db2.gz GRHURHRKHZCEFW-LJQANCHMSA-N 2 0 339.483 2.112 10 30 EEEERP C#Cc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(Cl)c1 ZINC000933364138 1207761557 /nfs/dbraw/zinc/76/15/57/1207761557.db2.gz VKAYROXZHLDPMQ-UHFFFAOYSA-N 2 0 336.867 2.278 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037119467 1213851872 /nfs/dbraw/zinc/85/18/72/1213851872.db2.gz CSQYWLWMDBQHGW-WOJBJXKFSA-N 2 0 345.531 2.396 10 30 EEEERP C[C@@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001277147751 1301511154 /nfs/dbraw/zinc/51/11/54/1301511154.db2.gz GZBZQSVWIAWXRI-LPHOPBHVSA-N 2 0 345.462 2.146 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001277473682 1303560425 /nfs/dbraw/zinc/56/04/25/1303560425.db2.gz HUHXARNXUQMFCN-HXUWFJFHSA-N 2 0 333.520 2.302 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001278495519 1310793067 /nfs/dbraw/zinc/79/30/67/1310793067.db2.gz VBQXZEXXQPFJHZ-VAMGGRTRSA-N 2 0 345.531 2.347 10 30 EEEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001316652770 1328611679 /nfs/dbraw/zinc/61/16/79/1328611679.db2.gz PQKXJHRCJWRZCP-SCTDSRPQSA-N 2 0 331.504 2.291 10 30 EEEERP CC(C)[C@H](C(=O)NCCC[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001265061640 1322900492 /nfs/dbraw/zinc/90/04/92/1322900492.db2.gz YVNNPUVFVRYVGT-LJQANCHMSA-N 2 0 329.488 2.062 10 30 EEEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001265549290 1323214654 /nfs/dbraw/zinc/21/46/54/1323214654.db2.gz FJRUDLFFLBMOAD-GASCZTMLSA-N 2 0 325.416 2.084 10 30 EEEERP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266235156 1323818454 /nfs/dbraw/zinc/81/84/54/1323818454.db2.gz SAEBQZILFZQAJH-HOCLYGCPSA-N 2 0 327.900 2.442 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001280309240 1324152957 /nfs/dbraw/zinc/15/29/57/1324152957.db2.gz ZVEXLFWLMMRVEX-OALUTQOASA-N 2 0 333.520 2.348 10 30 EEEERP C=CCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001282888377 1325823010 /nfs/dbraw/zinc/82/30/10/1325823010.db2.gz KLAAZDYZKKCOHC-CADBVGFASA-N 2 0 333.520 2.367 10 30 EEEERP CC#CC[NH2+][C@H](CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001283456925 1326079961 /nfs/dbraw/zinc/07/99/61/1326079961.db2.gz KALQITBIXJSXRN-APWZRJJASA-N 2 0 339.499 2.343 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCc2ccccc2)CC1 ZINC001283725469 1326221059 /nfs/dbraw/zinc/22/10/59/1326221059.db2.gz ZMCYLHKHFVDHRO-SFHVURJKSA-N 2 0 341.499 2.011 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC2CCCCCC2)CC1 ZINC001491682678 1330204303 /nfs/dbraw/zinc/20/43/03/1330204303.db2.gz NXROAMLORRGRKI-KRWDZBQOSA-N 2 0 333.520 2.396 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2cccc(CC)c2)CC1 ZINC001317472321 1331547920 /nfs/dbraw/zinc/54/79/20/1331547920.db2.gz ZXBRAKGFFMMPEE-UHFFFAOYSA-N 2 0 341.499 2.142 10 30 EEEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001316882327 1331948934 /nfs/dbraw/zinc/94/89/34/1331948934.db2.gz TUDCESQAROZREJ-SJLPKXTDSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCC(C)C)CC1 ZINC001317200135 1332127972 /nfs/dbraw/zinc/12/79/72/1332127972.db2.gz OOFPYZKRWXCXMN-IBGZPJMESA-N 2 0 333.520 2.348 10 30 EEEERP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001317360393 1332194585 /nfs/dbraw/zinc/19/45/85/1332194585.db2.gz YXIZITOTXPNCQT-OALUTQOASA-N 2 0 329.488 2.364 10 30 EEEERP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001319889279 1332793060 /nfs/dbraw/zinc/79/30/60/1332793060.db2.gz TZRJBRNWUBLPBO-OALUTQOASA-N 2 0 333.520 2.301 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001320110084 1332828697 /nfs/dbraw/zinc/82/86/97/1332828697.db2.gz FEPSAJJMYXZCQC-HZPDHXFCSA-N 2 0 327.900 2.394 10 30 EEEERP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001323637409 1333504292 /nfs/dbraw/zinc/50/42/92/1333504292.db2.gz LPJSVRNJTXVFIP-QGZVFWFLSA-N 2 0 330.476 2.479 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)C(C)(C)n1cnc(C)c1)C1CCCC1 ZINC001324480272 1333691234 /nfs/dbraw/zinc/69/12/34/1333691234.db2.gz AEXMLZMOSBGOHI-KRWDZBQOSA-N 2 0 330.476 2.215 10 30 EEEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001325761408 1333955559 /nfs/dbraw/zinc/95/55/59/1333955559.db2.gz KDSXSLQSDUWWCS-VPAKFMSCSA-N 2 0 333.520 2.462 10 30 EEEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001327488122 1334300550 /nfs/dbraw/zinc/30/05/50/1334300550.db2.gz CRNNGRIKIIJIAS-QZTJIDSGSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001327488121 1334300638 /nfs/dbraw/zinc/30/06/38/1334300638.db2.gz CRNNGRIKIIJIAS-MSOLQXFVSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001330599891 1334875530 /nfs/dbraw/zinc/87/55/30/1334875530.db2.gz VAJWMYBEDNOFFY-BZSNNMDCSA-N 2 0 331.504 2.149 10 30 EEEERP C[C@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)CCCC[NH+](C)C ZINC001331930341 1335679993 /nfs/dbraw/zinc/67/99/93/1335679993.db2.gz WNKZVHPEGGIOEJ-QFBILLFUSA-N 2 0 342.487 2.369 10 30 EEEERP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)CCCC[NH+](C)C ZINC001676766903 1357196786 /nfs/dbraw/zinc/19/67/86/1357196786.db2.gz KJTNVVCJFDPGEJ-VQIMIIECSA-N 2 0 342.487 2.369 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CCCC=C)C2)CC1 ZINC001664858407 1355244424 /nfs/dbraw/zinc/24/44/24/1355244424.db2.gz FRGYVMIACQCTRI-GOSISDBHSA-N 2 0 331.504 2.078 10 30 EEEERP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001666374610 1355519739 /nfs/dbraw/zinc/51/97/39/1355519739.db2.gz GIGNRDJRUZJWIW-IBGZPJMESA-N 2 0 333.520 2.350 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668309108 1355920416 /nfs/dbraw/zinc/92/04/16/1355920416.db2.gz DIUNYWNPKNNRGX-NVXWUHKLSA-N 2 0 347.890 2.128 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001671337284 1356329468 /nfs/dbraw/zinc/32/94/68/1356329468.db2.gz FLZFXSFEMAHSNN-OALUTQOASA-N 2 0 331.504 2.387 10 30 EEEERP CCCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001671720431 1356402032 /nfs/dbraw/zinc/40/20/32/1356402032.db2.gz QTLRDAVGBYPVJV-IEBWSBKVSA-N 2 0 339.524 2.116 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001672990622 1356627290 /nfs/dbraw/zinc/62/72/90/1356627290.db2.gz BXLUKIFSUXEJNG-NCXUSEDFSA-N 2 0 333.520 2.395 10 30 EEEERP C#CC[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)CC1 ZINC001673013599 1356631983 /nfs/dbraw/zinc/63/19/83/1356631983.db2.gz UWCDRHQTAXXNMR-UHFFFAOYSA-N 2 0 331.504 2.056 10 30 EEEERP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001698952859 1405183500 /nfs/dbraw/zinc/18/35/00/1405183500.db2.gz MHWUIYMVVUJDDG-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800517 779305860 /nfs/dbraw/zinc/30/58/60/779305860.db2.gz BMBSZHZIWDBWOW-ROUUACIJSA-N 2 0 331.504 2.243 10 30 EEEERP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923389472 789485366 /nfs/dbraw/zinc/48/53/66/789485366.db2.gz REKXMEUZYIBLFH-RBUKOAKNSA-N 2 0 343.471 2.010 10 30 EEEERP C#CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000914098221 794867933 /nfs/dbraw/zinc/86/79/33/794867933.db2.gz XZSIZNDBLBRBHP-UHFFFAOYSA-N 2 0 348.535 2.238 10 30 EEEERP C#CC[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H](CC#C)C3)COC2)C1 ZINC000829810292 805405568 /nfs/dbraw/zinc/40/55/68/805405568.db2.gz NMAWSCAODBBYGX-PMACEKPBSA-N 2 0 328.500 2.474 10 30 EEEERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001438770838 1091354596 /nfs/dbraw/zinc/35/45/96/1091354596.db2.gz IYUWVWGGEIIZCT-QFBILLFUSA-N 2 0 342.487 2.227 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001439425123 1092191530 /nfs/dbraw/zinc/19/15/30/1092191530.db2.gz UUHWVTDBDHNWTK-MOPGFXCFSA-N 2 0 342.487 2.275 10 30 EEEERP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001439803450 1092760034 /nfs/dbraw/zinc/76/00/34/1092760034.db2.gz DYPOPJCRKWRVCU-UHFFFAOYSA-N 2 0 346.500 2.186 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C#N)cc1 ZINC001440753215 1093998322 /nfs/dbraw/zinc/99/83/22/1093998322.db2.gz ZZJYLRWZXDMINM-IBGZPJMESA-N 2 0 342.487 2.321 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001441876490 1095997726 /nfs/dbraw/zinc/99/77/26/1095997726.db2.gz NVFVYZJGILPNRX-APWZRJJASA-N 2 0 342.487 2.273 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001480289286 1099999387 /nfs/dbraw/zinc/99/93/87/1099999387.db2.gz CMEFXVLORWKMOA-GOSISDBHSA-N 2 0 341.499 2.256 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001496902534 1101693468 /nfs/dbraw/zinc/69/34/68/1101693468.db2.gz FHAWSJHEWZIXMK-VQTJNVASSA-N 2 0 341.499 2.302 10 30 EEEERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001497727430 1102975915 /nfs/dbraw/zinc/97/59/15/1102975915.db2.gz XUPLUNFBSGDXGD-QWNKOJSDSA-N 2 0 346.450 2.046 10 30 EEEERP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001494018129 1103356894 /nfs/dbraw/zinc/35/68/94/1103356894.db2.gz DZDKSFVSEDUVHW-ZWKOTPCHSA-N 2 0 331.504 2.102 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494022548 1103370211 /nfs/dbraw/zinc/37/02/11/1103370211.db2.gz VGCHFKQYMOOSDI-MJGOQNOKSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC/C=C/CCC)C2)CC1 ZINC001494633727 1104217280 /nfs/dbraw/zinc/21/72/80/1104217280.db2.gz TVZREGSJVQJIFM-VOTSOKGWSA-N 2 0 331.504 2.126 10 30 EEEERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001498098588 1106918641 /nfs/dbraw/zinc/91/86/41/1106918641.db2.gz DKKPNFAINSXLMO-QFBILLFUSA-N 2 0 342.487 2.275 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001493569561 1108331814 /nfs/dbraw/zinc/33/18/14/1108331814.db2.gz KTEFIPSDSULIAE-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP C#CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC[NH+](CC#C)CC1 ZINC001500043040 1112590635 /nfs/dbraw/zinc/59/06/35/1112590635.db2.gz FZCRUOIEAJSRGP-UHFFFAOYSA-N 2 0 343.515 2.200 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001501182005 1113231379 /nfs/dbraw/zinc/23/13/79/1113231379.db2.gz XUBWTZQKEZQUPV-GUDVDZBRSA-N 2 0 333.520 2.252 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1 ZINC001502029397 1113565021 /nfs/dbraw/zinc/56/50/21/1113565021.db2.gz WLWDHHWQJIXCJS-UHFFFAOYSA-N 2 0 328.460 2.027 10 30 EEEERP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001506741612 1114852292 /nfs/dbraw/zinc/85/22/92/1114852292.db2.gz IJHPMJPBNLMNCY-CVEARBPZSA-N 2 0 327.488 2.459 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001507364938 1115224638 /nfs/dbraw/zinc/22/46/38/1115224638.db2.gz QMAFJLYNOYIKAW-VAMGGRTRSA-N 2 0 345.531 2.493 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C(=O)CCC[NH+](C)C ZINC001568294824 1124408970 /nfs/dbraw/zinc/40/89/70/1124408970.db2.gz IRFGRNYYDCTVOA-INIZCTEOSA-N 2 0 349.906 2.470 10 30 EEEERP COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cn1 ZINC000329548046 539776708 /nfs/dbraw/zinc/77/67/08/539776708.db2.gz HOTFINPQYREJMZ-UHFFFAOYSA-N 2 0 346.475 2.345 10 30 EEEERP N#CC1(c2ccccc2)CCC([NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000423175113 240394474 /nfs/dbraw/zinc/39/44/74/240394474.db2.gz CZUICDAHZZWJFG-UHFFFAOYSA-N 2 0 326.488 2.275 10 30 EEEERP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000594437795 468586731 /nfs/dbraw/zinc/58/67/31/468586731.db2.gz FNNSGMSLHPXLDZ-BPQIPLTHSA-N 2 0 328.460 2.177 10 30 EEEERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437891 468586894 /nfs/dbraw/zinc/58/68/94/468586894.db2.gz QAQOPVMWUNISHA-KBAYOESNSA-N 2 0 328.460 2.034 10 30 EEEERP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCN2C2CCCCC2)CCOCC1 ZINC000600751663 468647781 /nfs/dbraw/zinc/64/77/81/468647781.db2.gz SAJSAXJIUKMMRJ-MSOLQXFVSA-N 2 0 335.492 2.054 10 30 EEEERP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCN2C2CCCCC2)CCOCC1 ZINC000600751666 468647968 /nfs/dbraw/zinc/64/79/68/468647968.db2.gz SAJSAXJIUKMMRJ-ZWKOTPCHSA-N 2 0 335.492 2.054 10 30 EEEERP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000594925223 468724300 /nfs/dbraw/zinc/72/43/00/468724300.db2.gz QMUKRCGOFWXIGL-LJQANCHMSA-N 2 0 338.499 2.500 10 30 EEEERP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595944694 469094665 /nfs/dbraw/zinc/09/46/65/469094665.db2.gz IVWLWQQQJNXXNM-RBUKOAKNSA-N 2 0 342.487 2.173 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000573561691 469162272 /nfs/dbraw/zinc/16/22/72/469162272.db2.gz GIPGSCDHKMKSFY-IBGZPJMESA-N 2 0 342.487 2.295 10 30 EEEERP N#CC1(C[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCOCC1 ZINC000599335350 469215345 /nfs/dbraw/zinc/21/53/45/469215345.db2.gz SVHYGLGEZKKCOX-WDSOQIARSA-N 2 0 347.503 2.006 10 30 EEEERP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000127488297 678334586 /nfs/dbraw/zinc/33/45/86/678334586.db2.gz ISOKGKDVFCLIAN-NXOAAHMSSA-N 2 0 336.524 2.182 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CC1 ZINC000928648557 686019426 /nfs/dbraw/zinc/01/94/26/686019426.db2.gz MWWOURMJYMMMQT-KRWDZBQOSA-N 2 0 333.863 2.157 10 30 EEEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001267491546 1179165037 /nfs/dbraw/zinc/16/50/37/1179165037.db2.gz JLDJCDBJJINCIO-KXBFYZLASA-N 2 0 337.483 2.049 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3nccn3C2)CC1 ZINC001267926929 1180775508 /nfs/dbraw/zinc/77/55/08/1180775508.db2.gz ZDNNOWLSDFSJBG-ULQDDVLXSA-N 2 0 330.476 2.429 10 30 EEEERP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001481491260 1181556086 /nfs/dbraw/zinc/55/60/86/1181556086.db2.gz MJBVUHBINDLSSW-SJORKVTESA-N 2 0 330.476 2.192 10 30 EEEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001268134420 1181789190 /nfs/dbraw/zinc/78/91/90/1181789190.db2.gz JDAORAQXKWQHKT-IEBWSBKVSA-N 2 0 329.488 2.174 10 30 EEEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2cnccc2OC)C1 ZINC001268171474 1181942725 /nfs/dbraw/zinc/94/27/25/1181942725.db2.gz OCZZZZZQWPVNHJ-HOTGVXAUSA-N 2 0 331.460 2.426 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268291616 1182177309 /nfs/dbraw/zinc/17/73/09/1182177309.db2.gz ZNTWPINVJDUMFI-MOPGFXCFSA-N 2 0 327.472 2.260 10 30 EEEERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC#Cc1ccccc1 ZINC001481811504 1182739963 /nfs/dbraw/zinc/73/99/63/1182739963.db2.gz TUMNFFURNIRUBI-UXHICEINSA-N 2 0 341.499 2.395 10 30 EEEERP CCN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268497330 1183023115 /nfs/dbraw/zinc/02/31/15/1183023115.db2.gz LJKBMHBUWDSFMO-QGZVFWFLSA-N 2 0 347.890 2.081 10 30 EEEERP C=CCCC[NH2+]C/C=C/CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268591284 1183392314 /nfs/dbraw/zinc/39/23/14/1183392314.db2.gz PZCLETZPVHLTLP-BLGFXRMMSA-N 2 0 325.472 2.427 10 30 EEEERP N#CCN(CC1CC1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001269633056 1184457650 /nfs/dbraw/zinc/45/76/50/1184457650.db2.gz TVVMRCFBIJKEFN-UHFFFAOYSA-N 2 0 332.492 2.089 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](CC[NH2+]CC(=C)C)C2)CC1 ZINC001269799211 1184627479 /nfs/dbraw/zinc/62/74/79/1184627479.db2.gz SMCFFWYTRNAQCU-SFHVURJKSA-N 2 0 331.504 2.126 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001482552276 1186669216 /nfs/dbraw/zinc/66/92/16/1186669216.db2.gz CMHGZSREODYAOK-UYAOXDASSA-N 2 0 341.499 2.110 10 30 EEEERP C=C(Br)C[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482943551 1187863991 /nfs/dbraw/zinc/86/39/91/1187863991.db2.gz JHHDSAVFDISCMX-UHFFFAOYSA-N 2 0 346.313 2.208 10 30 EEEERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001485855709 1193617606 /nfs/dbraw/zinc/61/76/06/1193617606.db2.gz MOFOKBOPTAYQLR-CRAIPNDOSA-N 2 0 347.890 2.222 10 30 EEEERP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001484468135 1191372942 /nfs/dbraw/zinc/37/29/42/1191372942.db2.gz XXEYMSZYTWAZMZ-OALUTQOASA-N 2 0 331.504 2.341 10 30 EEEERP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCOCC1 ZINC001484864602 1191555150 /nfs/dbraw/zinc/55/51/50/1191555150.db2.gz KSPXZCJQRHFMJL-MSOLQXFVSA-N 2 0 349.519 2.225 10 30 EEEERP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810633762 1199635288 /nfs/dbraw/zinc/63/52/88/1199635288.db2.gz LZKJBZFFUVJCFK-MAUKXSAKSA-N 2 0 326.456 2.476 10 30 EEEERP C#CC[NH2+][C@@H](CCN(C)C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001276130728 1205791652 /nfs/dbraw/zinc/79/16/52/1205791652.db2.gz ZOFDTNHQPXJIHQ-SFHVURJKSA-N 2 0 326.444 2.352 10 30 EEEERP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858477 1206162184 /nfs/dbraw/zinc/16/21/84/1206162184.db2.gz SWRRIJXPFGAPFV-SJLPKXTDSA-N 2 0 339.439 2.211 10 30 EEEERP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001491296840 1258912550 /nfs/dbraw/zinc/91/25/50/1258912550.db2.gz GJAAAZICZOLMGN-QFBILLFUSA-N 2 0 342.487 2.227 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001491473344 1259118840 /nfs/dbraw/zinc/11/88/40/1259118840.db2.gz JGPYNJDGJIELJO-CRAIPNDOSA-N 2 0 328.460 2.027 10 30 EEEERP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001489336558 1290519317 /nfs/dbraw/zinc/51/93/17/1290519317.db2.gz AYTPBGWHNUFHIZ-AWEZNQCLSA-N 2 0 336.505 2.034 10 30 EEEERP CN1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000852886941 1292225141 /nfs/dbraw/zinc/22/51/41/1292225141.db2.gz ZZUMEGVNWIQBKE-MJGOQNOKSA-N 2 0 345.874 2.204 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001278200332 1306283235 /nfs/dbraw/zinc/28/32/35/1306283235.db2.gz DIDXFFLYOGLWNA-LJQANCHMSA-N 2 0 345.531 2.445 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001278495521 1310793080 /nfs/dbraw/zinc/79/30/80/1310793080.db2.gz VBQXZEXXQPFJHZ-XUVXKRRUSA-N 2 0 345.531 2.347 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001160747763 1320256940 /nfs/dbraw/zinc/25/69/40/1320256940.db2.gz VNLAOKQTMFCGHB-INIZCTEOSA-N 2 0 328.460 2.065 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C=C\Cl)C2)CC1 ZINC001266079597 1323636261 /nfs/dbraw/zinc/63/62/61/1323636261.db2.gz RZCZPHMFZWTZKI-JNZXNGNHSA-N 2 0 337.895 2.101 10 30 EEEERP C=C(C)CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001266088305 1323645229 /nfs/dbraw/zinc/64/52/29/1323645229.db2.gz SQQYLVWUXFMVKJ-LJQANCHMSA-N 2 0 329.488 2.353 10 30 EEEERP CC#CC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001279195628 1323848540 /nfs/dbraw/zinc/84/85/40/1323848540.db2.gz ZDHRMHCHBMFAQQ-APWZRJJASA-N 2 0 327.472 2.069 10 30 EEEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001316659734 1329875364 /nfs/dbraw/zinc/87/53/64/1329875364.db2.gz CMUONVFWBQHLJA-FRQCXROJSA-N 2 0 337.483 2.097 10 30 EEEERP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001492164676 1331029809 /nfs/dbraw/zinc/02/98/09/1331029809.db2.gz DBOQXCWFGHSPFQ-LPHOPBHVSA-N 2 0 337.483 2.193 10 30 EEEERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001317264011 1332157831 /nfs/dbraw/zinc/15/78/31/1332157831.db2.gz KKXKMFYXBMOIKW-MRXNPFEDSA-N 2 0 347.478 2.249 10 30 EEEERP CCC[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001317541637 1332290478 /nfs/dbraw/zinc/29/04/78/1332290478.db2.gz YTCJURGVIKMVOD-LJQANCHMSA-N 2 0 347.478 2.346 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001320149308 1332837924 /nfs/dbraw/zinc/83/79/24/1332837924.db2.gz FMJMZELJSKQVQY-ICSRJNTNSA-N 2 0 341.499 2.302 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320523823 1332903184 /nfs/dbraw/zinc/90/31/84/1332903184.db2.gz RKMLKWFWYOMDAV-HKUYNNGSSA-N 2 0 327.472 2.007 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001320733743 1332942499 /nfs/dbraw/zinc/94/24/99/1332942499.db2.gz AQZCSCCCJKSLLM-QGZVFWFLSA-N 2 0 348.516 2.431 10 30 EEEERP C=CCCC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001323542231 1333485622 /nfs/dbraw/zinc/48/56/22/1333485622.db2.gz NHHJERVHNCKWBV-SFHVURJKSA-N 2 0 325.472 2.404 10 30 EEEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001323733354 1333526782 /nfs/dbraw/zinc/52/67/82/1333526782.db2.gz GMZJOKFNMDYXOQ-VQIMIIECSA-N 2 0 331.504 2.053 10 30 EEEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001323735655 1333527581 /nfs/dbraw/zinc/52/75/81/1333527581.db2.gz AYNBTVYMMPZOIH-UHFFFAOYSA-N 2 0 331.504 2.199 10 30 EEEERP C#CCN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](CCC=C)CC1 ZINC001324440929 1333684197 /nfs/dbraw/zinc/68/41/97/1333684197.db2.gz JDSRGXIWAWNFPJ-UHFFFAOYSA-N 2 0 331.504 2.365 10 30 EEEERP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001325054770 1333819922 /nfs/dbraw/zinc/81/99/22/1333819922.db2.gz PPRQXSRTXUILHC-JKSUJKDBSA-N 2 0 343.462 2.368 10 30 EEEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc(CN(C)C)on2)C1 ZINC001325416204 1333882337 /nfs/dbraw/zinc/88/23/37/1333882337.db2.gz KWDRXYMFVMNOOV-HUUCEWRRSA-N 2 0 334.464 2.143 10 30 EEEERP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001328808135 1334526099 /nfs/dbraw/zinc/52/60/99/1334526099.db2.gz NPLGFQWNTXESQK-WOJBJXKFSA-N 2 0 345.531 2.446 10 30 EEEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001332007080 1335703873 /nfs/dbraw/zinc/70/38/73/1335703873.db2.gz HCDHXBYJMGEWBO-GJZGRUSLSA-N 2 0 325.416 2.036 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001332469986 1335830793 /nfs/dbraw/zinc/83/07/93/1335830793.db2.gz IPCHJGOTJOVJGX-GJZGRUSLSA-N 2 0 347.425 2.275 10 30 EEEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C(F)(F)F ZINC001333021431 1335949109 /nfs/dbraw/zinc/94/91/09/1335949109.db2.gz OWCFVDLFKBRMKI-HUUCEWRRSA-N 2 0 347.425 2.416 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001566939536 1342655380 /nfs/dbraw/zinc/65/53/80/1342655380.db2.gz FIQQYONEWNJHHQ-OALUTQOASA-N 2 0 331.504 2.387 10 30 EEEERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001569846895 1342957560 /nfs/dbraw/zinc/95/75/60/1342957560.db2.gz HRCOPLKGZOBYGW-ICSRJNTNSA-N 2 0 341.499 2.064 10 30 EEEERP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)C(C)(C)C1)[NH+](C)C ZINC001571563857 1343238436 /nfs/dbraw/zinc/23/84/36/1343238436.db2.gz RRMGJTSZZDKHCW-RBUKOAKNSA-N 2 0 341.499 2.205 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001676976303 1357253855 /nfs/dbraw/zinc/25/38/55/1357253855.db2.gz VNBQSSFJQADFPW-PKOBYXMFSA-N 2 0 331.504 2.006 10 30 EEEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001661169181 1354600205 /nfs/dbraw/zinc/60/02/05/1354600205.db2.gz VRQUJQFEUSHYSV-AABGKKOBSA-N 2 0 341.499 2.392 10 30 EEEERP C=CCC[C@H](CO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001662446976 1354798473 /nfs/dbraw/zinc/79/84/73/1354798473.db2.gz DPTDCQJREUIUKN-CQSZACIVSA-N 2 0 342.386 2.486 10 30 EEEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001663120292 1354921477 /nfs/dbraw/zinc/92/14/77/1354921477.db2.gz SJPHEPKTSFITCK-LJQANCHMSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC2CC(C)(C)C2)C(C)C)CC1 ZINC001667519372 1355753701 /nfs/dbraw/zinc/75/37/01/1355753701.db2.gz DVLVLFCZYSPSTH-LJQANCHMSA-N 2 0 347.547 2.498 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001669482103 1356164850 /nfs/dbraw/zinc/16/48/50/1356164850.db2.gz FFLSGRNXABCPPZ-MSOLQXFVSA-N 2 0 341.499 2.496 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1CC ZINC001672177145 1356474354 /nfs/dbraw/zinc/47/43/54/1356474354.db2.gz SBOLFHMLLQGZLR-MOPGFXCFSA-N 2 0 327.472 2.113 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1CC ZINC001672183081 1356475535 /nfs/dbraw/zinc/47/55/35/1356475535.db2.gz MGPUBTBPECWUNE-LJQANCHMSA-N 2 0 329.488 2.359 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC#Cc1ccccc1 ZINC001672530952 1356546320 /nfs/dbraw/zinc/54/63/20/1356546320.db2.gz OPFLSYJJADWMOB-PMACEKPBSA-N 2 0 339.483 2.055 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001672915949 1356614164 /nfs/dbraw/zinc/61/41/64/1356614164.db2.gz LFHGXACZXMIJDZ-HNNXBMFYSA-N 2 0 348.516 2.288 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001699011059 1405224866 /nfs/dbraw/zinc/22/48/66/1405224866.db2.gz LJFYMFFRMMMZSE-SFHVURJKSA-N 2 0 335.536 2.404 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001699551319 1405388219 /nfs/dbraw/zinc/38/82/19/1405388219.db2.gz OLWQTVQQROUMOO-IAGOWNOFSA-N 2 0 342.487 2.369 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000907876553 784928912 /nfs/dbraw/zinc/92/89/12/784928912.db2.gz FLXIZOUVBXRYRO-KDURUIRLSA-N 2 0 327.472 2.085 10 30 EEEERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(OCC#N)cc1 ZINC000817984214 785133445 /nfs/dbraw/zinc/13/34/45/785133445.db2.gz WBFRFXBQMJMHNT-IVMQYODDSA-N 2 0 342.487 2.456 10 30 EEEERP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC000923494423 789666098 /nfs/dbraw/zinc/66/60/98/789666098.db2.gz XKBOMNPPHCCXOY-CGTJXYLNSA-N 2 0 348.487 2.080 10 30 EEEERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC001566565361 1125740549 /nfs/dbraw/zinc/74/05/49/1125740549.db2.gz SMESQSIRMFZGSC-QGZVFWFLSA-N 2 0 342.487 2.228 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001439687736 1092633312 /nfs/dbraw/zinc/63/33/12/1092633312.db2.gz SKSLUGHOMIWGNX-HZPDHXFCSA-N 2 0 327.900 2.394 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001449023938 1094030759 /nfs/dbraw/zinc/03/07/59/1094030759.db2.gz AVXOIXMXWBOYKZ-ARFHVFGLSA-N 2 0 327.900 2.297 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001441903438 1096066770 /nfs/dbraw/zinc/06/67/70/1096066770.db2.gz UESJFFAIJYXGHP-MOPGFXCFSA-N 2 0 342.487 2.273 10 30 EEEERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001444326538 1098889207 /nfs/dbraw/zinc/88/92/07/1098889207.db2.gz PNTUHFQKVMNALX-CQSZACIVSA-N 2 0 346.450 2.024 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001480598213 1106736980 /nfs/dbraw/zinc/73/69/80/1106736980.db2.gz ZGWRJBVTDAOMGU-OAHLLOKOSA-N 2 0 335.879 2.126 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1 ZINC001480715491 1106946567 /nfs/dbraw/zinc/94/65/67/1106946567.db2.gz ZKHNQSWDBBDTMG-VQTJNVASSA-N 2 0 339.483 2.085 10 30 EEEERP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001480729018 1106988386 /nfs/dbraw/zinc/98/83/86/1106988386.db2.gz CEBZBMNEKMCHRM-WOJBJXKFSA-N 2 0 341.499 2.301 10 30 EEEERP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001499066435 1108530220 /nfs/dbraw/zinc/53/02/20/1108530220.db2.gz IDAULUDBRGRFIS-YJBOKZPZSA-N 2 0 325.472 2.356 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001493807132 1108687310 /nfs/dbraw/zinc/68/73/10/1108687310.db2.gz VZLUGIHDFGPUHY-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP C#CCN(C(=O)c1ccc(C[NH+]2CCCC2)o1)C1CC[NH+](C)CC1 ZINC001472033712 1110539458 /nfs/dbraw/zinc/53/94/58/1110539458.db2.gz FGZSPGRVXKMKMR-UHFFFAOYSA-N 2 0 329.444 2.045 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CC2CC2)CC1 ZINC001500054850 1112595067 /nfs/dbraw/zinc/59/50/67/1112595067.db2.gz WHFRDCQKHKHCFH-QUCCMNQESA-N 2 0 345.531 2.443 10 30 EEEERP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001502966452 1113863964 /nfs/dbraw/zinc/86/39/64/1113863964.db2.gz DGUBLQZQHIMJDO-KGLIPLIRSA-N 2 0 334.489 2.041 10 30 EEEERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001506992258 1115037401 /nfs/dbraw/zinc/03/74/01/1115037401.db2.gz COWQSAPWUTVMAV-RTBURBONSA-N 2 0 342.487 2.130 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(C#N)c1)C(C)(C)C ZINC001508016342 1115389348 /nfs/dbraw/zinc/38/93/48/1115389348.db2.gz RJXSTTXAGXXHHV-KRWDZBQOSA-N 2 0 348.466 2.270 10 30 EEEERP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001568516356 1124580524 /nfs/dbraw/zinc/58/05/24/1124580524.db2.gz WHOXTYWYMMHZOI-RTBURBONSA-N 2 0 331.504 2.199 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001568700107 1124714631 /nfs/dbraw/zinc/71/46/31/1124714631.db2.gz KNNILYGCSZPVFR-MRXNPFEDSA-N 2 0 333.451 2.003 10 30 EEEERP C=C(C)C[C@@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274297066 464740663 /nfs/dbraw/zinc/74/06/63/464740663.db2.gz RHPQCQQDBZIBNR-QGZVFWFLSA-N 2 0 330.476 2.312 10 30 EEEERP CC(C)C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(=O)NCC[NH+](C)C ZINC000353659267 466044958 /nfs/dbraw/zinc/04/49/58/466044958.db2.gz QEBPSJFTTPVCQA-MOPGFXCFSA-N 2 0 342.487 2.228 10 30 EEEERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000374100296 467001525 /nfs/dbraw/zinc/00/15/25/467001525.db2.gz SFPAGUUYNOXVDI-LJQANCHMSA-N 2 0 348.535 2.189 10 30 EEEERP C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662701977 472214908 /nfs/dbraw/zinc/21/49/08/472214908.db2.gz VVDRUJBKHDNFAB-FPOVZHCZSA-N 2 0 341.499 2.366 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000914331093 683502685 /nfs/dbraw/zinc/50/26/85/683502685.db2.gz JJXMWBOMBWUDEL-IAGOWNOFSA-N 2 0 348.535 2.140 10 30 EEEERP CC[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262474588 686267181 /nfs/dbraw/zinc/26/71/81/686267181.db2.gz PTWUMKWYIROXCA-MRXNPFEDSA-N 2 0 346.523 2.049 10 30 EEEERP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001485658521 1191878869 /nfs/dbraw/zinc/87/88/69/1191878869.db2.gz VQYJDKLNKDBJTR-XUVXKRRUSA-N 2 0 345.531 2.493 10 30 EEEERP C#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001266391980 1176465844 /nfs/dbraw/zinc/46/58/44/1176465844.db2.gz BFZITAKABFTCEX-IEBWSBKVSA-N 2 0 333.520 2.443 10 30 EEEERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001481119047 1179791438 /nfs/dbraw/zinc/79/14/38/1179791438.db2.gz QBEAHBUWXZSJKP-HXUWFJFHSA-N 2 0 341.499 2.208 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CCC2CCCC2)CC1 ZINC001268015870 1180978716 /nfs/dbraw/zinc/97/87/16/1180978716.db2.gz VCIFGJZCWXFWFQ-KRWDZBQOSA-N 2 0 333.520 2.254 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001268282189 1182151144 /nfs/dbraw/zinc/15/11/44/1182151144.db2.gz FEAHGZQNNRAGDR-ZWKOTPCHSA-N 2 0 333.520 2.396 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCCCC=C)C2)CC1 ZINC001481709974 1182285607 /nfs/dbraw/zinc/28/56/07/1182285607.db2.gz JTKSVNWTBJQWOC-LJQANCHMSA-N 2 0 331.504 2.269 10 30 EEEERP C#CCC[NH+]1CCC(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001482051398 1183246532 /nfs/dbraw/zinc/24/65/32/1183246532.db2.gz ZYDAJLDAHCDRTF-UHFFFAOYSA-N 2 0 333.520 2.348 10 30 EEEERP CN(C(=O)CC[NH+](C)C)[C@H]1CCN(CC#Cc2ccccc2Cl)C1 ZINC001269269168 1184121163 /nfs/dbraw/zinc/12/11/63/1184121163.db2.gz UYWPNDVIKBSHFQ-KRWDZBQOSA-N 2 0 347.890 2.176 10 30 EEEERP CC#CC[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001269644440 1184467704 /nfs/dbraw/zinc/46/77/04/1184467704.db2.gz FSGUWVAYBSKPEH-HXUWFJFHSA-N 2 0 331.504 2.006 10 30 EEEERP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CC2CCCC2)CC1 ZINC001270359298 1185044121 /nfs/dbraw/zinc/04/41/21/1185044121.db2.gz SJFXFCXGOMMQKK-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCC(C)C)CC1 ZINC001270359018 1185044165 /nfs/dbraw/zinc/04/41/65/1185044165.db2.gz PYJHIFOGIMOWMA-UHFFFAOYSA-N 2 0 331.504 2.055 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CCCC)CC1 ZINC001271772245 1186474029 /nfs/dbraw/zinc/47/40/29/1186474029.db2.gz MCPCQHFQSNABKF-IBGZPJMESA-N 2 0 333.520 2.445 10 30 EEEERP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)CCC[NH+](C)C)CC1 ZINC001271826996 1186529473 /nfs/dbraw/zinc/52/94/73/1186529473.db2.gz PBUVXEZEIFWRDG-UHFFFAOYSA-N 2 0 344.503 2.402 10 30 EEEERP C=CCC[NH2+][C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001271869450 1186565452 /nfs/dbraw/zinc/56/54/52/1186565452.db2.gz ONYBHTYKXCDDTL-KRWDZBQOSA-N 2 0 327.432 2.187 10 30 EEEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001271892295 1186585629 /nfs/dbraw/zinc/58/56/29/1186585629.db2.gz RDDARLWGCHFEJP-YRXWBPOGSA-N 2 0 333.520 2.463 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001482969434 1187909905 /nfs/dbraw/zinc/90/99/05/1187909905.db2.gz GTYYTVMFGJXWJN-HXUWFJFHSA-N 2 0 341.499 2.351 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001670984723 1193538542 /nfs/dbraw/zinc/53/85/42/1193538542.db2.gz DTQVLMKLLMIDDI-WMZOPIPTSA-N 2 0 331.504 2.053 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001485885194 1193629646 /nfs/dbraw/zinc/62/96/46/1193629646.db2.gz GRDIEYDJBJDFDF-QUCCMNQESA-N 2 0 341.499 2.338 10 30 EEEERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001485944244 1193654002 /nfs/dbraw/zinc/65/40/02/1193654002.db2.gz LGYLRFRGIATRAX-MAUKXSAKSA-N 2 0 349.906 2.468 10 30 EEEERP C=CCC[NH2+]C[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001483587541 1190573407 /nfs/dbraw/zinc/57/34/07/1190573407.db2.gz HPEBZBCOUXEBKS-YJBOKZPZSA-N 2 0 325.472 2.259 10 30 EEEERP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001484371736 1191319840 /nfs/dbraw/zinc/31/98/40/1191319840.db2.gz LZNUSEHWIAXBST-IRXDYDNUSA-N 2 0 333.520 2.347 10 30 EEEERP C=CCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)O2 ZINC001484784188 1191519454 /nfs/dbraw/zinc/51/94/54/1191519454.db2.gz LGKMJDVEDHCWIC-KRWDZBQOSA-N 2 0 349.519 2.177 10 30 EEEERP C=CCC[NH2+]C1(CC)CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001484817847 1191538670 /nfs/dbraw/zinc/53/86/70/1191538670.db2.gz RCMFMRJKDQUEHJ-UHFFFAOYSA-N 2 0 337.508 2.034 10 30 EEEERP CC#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484821034 1191540123 /nfs/dbraw/zinc/54/01/23/1191540123.db2.gz KDNDBTYCODYROD-LJQANCHMSA-N 2 0 333.520 2.350 10 30 EEEERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001485002259 1191608563 /nfs/dbraw/zinc/60/85/63/1191608563.db2.gz KZJVHVATYCZBSA-INIZCTEOSA-N 2 0 347.890 2.272 10 30 EEEERP C[NH+](C)CCCC(=O)NC1CC(C[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001485101506 1191652373 /nfs/dbraw/zinc/65/23/73/1191652373.db2.gz UBRASZSDSNHQLG-UHFFFAOYSA-N 2 0 346.450 2.024 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485229897 1191698829 /nfs/dbraw/zinc/69/88/29/1191698829.db2.gz NMEMDEUPDAOCEN-ZIAGYGMSSA-N 2 0 334.439 2.020 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC=C)[C@@H]2C)CC1 ZINC001486185848 1193726924 /nfs/dbraw/zinc/72/69/24/1193726924.db2.gz DQWJSLCDRCJJJO-MJGOQNOKSA-N 2 0 331.504 2.267 10 30 EEEERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001410245158 1197629765 /nfs/dbraw/zinc/62/97/65/1197629765.db2.gz VSEDSUNSSOSJMO-IYARVYRRSA-N 2 0 340.471 2.027 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000876720079 1199737829 /nfs/dbraw/zinc/73/78/29/1199737829.db2.gz ZYGJATYWPBBAFL-QGZVFWFLSA-N 2 0 335.879 2.280 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000876967730 1199832794 /nfs/dbraw/zinc/83/27/94/1199832794.db2.gz MCPFGLJSDLQSOX-DLBZAZTESA-N 2 0 335.879 2.232 10 30 EEEERP C#CCOc1ccccc1C[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000877665312 1200016306 /nfs/dbraw/zinc/01/63/06/1200016306.db2.gz QLFVNIKEHNNKRT-UHFFFAOYSA-N 2 0 330.472 2.489 10 30 EEEERP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001274345679 1205006489 /nfs/dbraw/zinc/00/64/89/1205006489.db2.gz XYFJVICUVKPDJK-QZTJIDSGSA-N 2 0 349.519 2.177 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001274719532 1205141810 /nfs/dbraw/zinc/14/18/10/1205141810.db2.gz AOMJFYIQWZWLEN-ICSRJNTNSA-N 2 0 341.499 2.395 10 30 EEEERP C#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000931073861 1206604670 /nfs/dbraw/zinc/60/46/70/1206604670.db2.gz ALNYKIYFPQTBRE-IBGZPJMESA-N 2 0 343.471 2.039 10 30 EEEERP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000303910268 1213923794 /nfs/dbraw/zinc/92/37/94/1213923794.db2.gz YSRNAGBIDJXYRV-MRXNPFEDSA-N 2 0 347.482 2.137 10 30 EEEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001691743050 1215080247 /nfs/dbraw/zinc/08/02/47/1215080247.db2.gz UMDFXSVITGMZOX-DAYGRLMNSA-N 2 0 325.472 2.259 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000900648322 1234607722 /nfs/dbraw/zinc/60/77/22/1234607722.db2.gz QKDSYFZQKDOBHH-LJQANCHMSA-N 2 0 344.503 2.402 10 30 EEEERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001491486904 1259137006 /nfs/dbraw/zinc/13/70/06/1259137006.db2.gz QYQRFERBBGELJG-QAPCUYQASA-N 2 0 328.460 2.027 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001488851357 1290246586 /nfs/dbraw/zinc/24/65/86/1290246586.db2.gz OUJLYJMPSKBSFL-SAABIXHNSA-N 2 0 347.890 2.128 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001491160798 1299642618 /nfs/dbraw/zinc/64/26/18/1299642618.db2.gz MALQCOPKTHUGAE-MRXNPFEDSA-N 2 0 339.911 2.443 10 30 EEEERP C#CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CCCCCC1 ZINC001277383123 1302758892 /nfs/dbraw/zinc/75/88/92/1302758892.db2.gz ZJGWDOQYTFFELD-UHFFFAOYSA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[NH+]1CCC(C)(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001278064390 1305828544 /nfs/dbraw/zinc/82/85/44/1305828544.db2.gz MVWASIJZPSTYKT-UHFFFAOYSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001278177010 1306181742 /nfs/dbraw/zinc/18/17/42/1306181742.db2.gz GUKQSEDUKPOSTK-LJQANCHMSA-N 2 0 343.515 2.058 10 30 EEEERP C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CCCF)CC1 ZINC001278188026 1306221092 /nfs/dbraw/zinc/22/10/92/1306221092.db2.gz FERZRQUOMRKHOU-UHFFFAOYSA-N 2 0 337.483 2.004 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001278495517 1310793468 /nfs/dbraw/zinc/79/34/68/1310793468.db2.gz VBQXZEXXQPFJHZ-SLFFLAALSA-N 2 0 345.531 2.347 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001278615516 1317371030 /nfs/dbraw/zinc/37/10/30/1317371030.db2.gz JCXIRSPJFUMNEQ-GOSISDBHSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(C)C[NH2+]CCCOC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001282593579 1325748542 /nfs/dbraw/zinc/74/85/42/1325748542.db2.gz LEIDTCIOZKPINI-FQEVSTJZSA-N 2 0 349.519 2.036 10 30 EEEERP C#CCC[NH2+]C1CC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001284789969 1326715479 /nfs/dbraw/zinc/71/54/79/1326715479.db2.gz LDEUKGSXZMEVAL-UHFFFAOYSA-N 2 0 327.472 2.007 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001491884576 1330288827 /nfs/dbraw/zinc/28/88/27/1330288827.db2.gz CGSZIRBQXKPHPR-SJORKVTESA-N 2 0 346.450 2.166 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001317720981 1332387935 /nfs/dbraw/zinc/38/79/35/1332387935.db2.gz QDASXVJHJPROQE-RTBURBONSA-N 2 0 327.472 2.331 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCC=C)c2ccccc2)CC1 ZINC001317729976 1332391637 /nfs/dbraw/zinc/39/16/37/1332391637.db2.gz ZDDAQZIWBCRYKB-HXUWFJFHSA-N 2 0 339.483 2.355 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001319942962 1332800272 /nfs/dbraw/zinc/80/02/72/1332800272.db2.gz GEMDFMDXNONJLE-AABGKKOBSA-N 2 0 341.499 2.086 10 30 EEEERP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001320553141 1332908604 /nfs/dbraw/zinc/90/86/04/1332908604.db2.gz PWJINMIGIOAINJ-QRQLOZEOSA-N 2 0 329.488 2.392 10 30 EEEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001320792327 1332954348 /nfs/dbraw/zinc/95/43/48/1332954348.db2.gz UWFUMLIJTOCCAK-UHFFFAOYSA-N 2 0 333.823 2.072 10 30 EEEERP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001325055829 1333820520 /nfs/dbraw/zinc/82/05/20/1333820520.db2.gz WJTUJZCOJCPIDN-HNNXBMFYSA-N 2 0 331.451 2.366 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001325582304 1333916876 /nfs/dbraw/zinc/91/68/76/1333916876.db2.gz PYRKLNAOMCLZAX-APWZRJJASA-N 2 0 333.520 2.369 10 30 EEEERP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001325644375 1333931532 /nfs/dbraw/zinc/93/15/32/1333931532.db2.gz VCWQYBLENOQVSA-FCGDIQPGSA-N 2 0 331.504 2.099 10 30 EEEERP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCc3cnc(C)n3C2)CC1 ZINC001327473693 1334298621 /nfs/dbraw/zinc/29/86/21/1334298621.db2.gz AIBISOLFJHVBGS-INIZCTEOSA-N 2 0 330.476 2.301 10 30 EEEERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001329152561 1334595897 /nfs/dbraw/zinc/59/58/97/1334595897.db2.gz RQWFSSSAHONBDN-RTBURBONSA-N 2 0 341.499 2.253 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CCCC=C)C3)CC1 ZINC001330515180 1334862586 /nfs/dbraw/zinc/86/25/86/1334862586.db2.gz VWODPBDDPISXNW-UHFFFAOYSA-N 2 0 343.515 2.222 10 30 EEEERP C#CC[N@H+](CC1CCOCC1)C1CC[NH+](CC2CCOCC2)CC1 ZINC001349699866 1337640032 /nfs/dbraw/zinc/64/00/32/1337640032.db2.gz IRXCCYQTDSQCIN-UHFFFAOYSA-N 2 0 334.504 2.239 10 30 EEEERP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001667332650 1355712849 /nfs/dbraw/zinc/71/28/49/1355712849.db2.gz OSCXUYQLHUZZGT-MJGOQNOKSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCN1CCC[C@H](NC(=O)N(CCC)CC[NH+]2CCCCCC2)C1 ZINC001565346206 1342554783 /nfs/dbraw/zinc/55/47/83/1342554783.db2.gz JWHNKRVWUPEENN-IBGZPJMESA-N 2 0 348.535 2.382 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567177184 1342705732 /nfs/dbraw/zinc/70/57/32/1342705732.db2.gz SNKSHHNDLQRIJI-MOPGFXCFSA-N 2 0 331.504 2.149 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001569985483 1342989211 /nfs/dbraw/zinc/98/92/11/1342989211.db2.gz RUOZSTJNRDFVFD-OAHLLOKOSA-N 2 0 333.501 2.275 10 30 EEEERP C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC001571480107 1343216999 /nfs/dbraw/zinc/21/69/99/1343216999.db2.gz ZTKUHSVUWORRHL-IEBWSBKVSA-N 2 0 339.483 2.101 10 30 EEEERP C#CCC[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC001571558484 1343237501 /nfs/dbraw/zinc/23/75/01/1343237501.db2.gz KQTAXNIHMRMRGB-HNNXBMFYSA-N 2 0 333.501 2.273 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CC3CCC3)C2)CC1 ZINC001640213890 1352707179 /nfs/dbraw/zinc/70/71/79/1352707179.db2.gz NNAMYZHKFBIMDA-XLIONFOSSA-N 2 0 345.531 2.206 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CC3CCC3)C2)CC1 ZINC001640213888 1352707316 /nfs/dbraw/zinc/70/73/16/1352707316.db2.gz NNAMYZHKFBIMDA-FXAWDEMLSA-N 2 0 345.531 2.206 10 30 EEEERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1ccccc1C#N ZINC001660537271 1354484576 /nfs/dbraw/zinc/48/45/76/1354484576.db2.gz SEPOPRHGVFPSPE-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661752506 1354689819 /nfs/dbraw/zinc/68/98/19/1354689819.db2.gz KREUQOJJVRXSPJ-RBUKOAKNSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001666111258 1355454580 /nfs/dbraw/zinc/45/45/80/1355454580.db2.gz PWIMNFLDTXFOCA-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001666218880 1355487025 /nfs/dbraw/zinc/48/70/25/1355487025.db2.gz GFNHWQRQLIJGHF-MOPGFXCFSA-N 2 0 331.504 2.245 10 30 EEEERP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001673376757 1356679367 /nfs/dbraw/zinc/67/93/67/1356679367.db2.gz UWMOZSABUCNKFQ-MSOLQXFVSA-N 2 0 337.508 2.033 10 30 EEEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001674419895 1356829037 /nfs/dbraw/zinc/82/90/37/1356829037.db2.gz KHRRQTUZUYBTEL-YCEFEEMOSA-N 2 0 327.472 2.275 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001675926987 1357071528 /nfs/dbraw/zinc/07/15/28/1357071528.db2.gz YQBBBNHXSPTEHN-VQIMIIECSA-N 2 0 342.487 2.417 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001698845829 1405104571 /nfs/dbraw/zinc/10/45/71/1405104571.db2.gz PJUDAGFUBBWQLE-GOSISDBHSA-N 2 0 343.515 2.453 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699034669 1405243354 /nfs/dbraw/zinc/24/33/54/1405243354.db2.gz PNFXZRPJDNIQHF-MOPGFXCFSA-N 2 0 331.504 2.006 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699034671 1405243626 /nfs/dbraw/zinc/24/36/26/1405243626.db2.gz PNFXZRPJDNIQHF-RBUKOAKNSA-N 2 0 331.504 2.006 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699034672 1405243756 /nfs/dbraw/zinc/24/37/56/1405243756.db2.gz PNFXZRPJDNIQHF-RTBURBONSA-N 2 0 331.504 2.006 10 30 EEEERP C#CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026719 779736259 /nfs/dbraw/zinc/73/62/59/779736259.db2.gz MRUFFNPVGBSOMI-KXBFYZLASA-N 2 0 337.483 2.049 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)CC2(C)C)CC1 ZINC000941237932 780226630 /nfs/dbraw/zinc/22/66/30/780226630.db2.gz SVXLTHXBHKSUIA-SFHVURJKSA-N 2 0 331.504 2.124 10 30 EEEERP C=CCOCC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001179238667 799834484 /nfs/dbraw/zinc/83/44/84/799834484.db2.gz VSKUWSRLXPNKOE-UHFFFAOYSA-N 2 0 328.359 2.362 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000922328135 800605108 /nfs/dbraw/zinc/60/51/08/800605108.db2.gz DUAYSLPDESEPHZ-IBGZPJMESA-N 2 0 346.519 2.180 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001439425128 1092192472 /nfs/dbraw/zinc/19/24/72/1092192472.db2.gz UUHWVTDBDHNWTK-RBUKOAKNSA-N 2 0 342.487 2.275 10 30 EEEERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001440134950 1093200060 /nfs/dbraw/zinc/20/00/60/1093200060.db2.gz NKWIMIRNHJGHIN-CABCVRRESA-N 2 0 348.516 2.146 10 30 EEEERP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)CN(C)Cc1ccccc1 ZINC001480335233 1100098560 /nfs/dbraw/zinc/09/85/60/1100098560.db2.gz OWDIJOQGMSZFMV-IBGZPJMESA-N 2 0 327.472 2.112 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCCC1CC[NH+](CCCC=C)CC1 ZINC001495521043 1101233263 /nfs/dbraw/zinc/23/32/63/1101233263.db2.gz QNWJBGHECVYFQQ-IBGZPJMESA-N 2 0 331.504 2.269 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2ccccc2F)CC1 ZINC001495815190 1101633325 /nfs/dbraw/zinc/63/33/25/1101633325.db2.gz ZIDHKLFKTREPKY-INIZCTEOSA-N 2 0 345.462 2.013 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494082371 1103494247 /nfs/dbraw/zinc/49/42/47/1103494247.db2.gz FDICQXBVKSLGPF-MOPGFXCFSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001480730824 1106993111 /nfs/dbraw/zinc/99/31/11/1106993111.db2.gz MHDBCMYHEGPNJE-MOPGFXCFSA-N 2 0 331.504 2.340 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001493846970 1108730205 /nfs/dbraw/zinc/73/02/05/1108730205.db2.gz MLVZTYLEGNKKAM-CABCVRRESA-N 2 0 327.900 2.297 10 30 EEEERP C=CC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1CC ZINC001501021465 1113170666 /nfs/dbraw/zinc/17/06/66/1113170666.db2.gz GWBIBIPRCAEYJE-GOSISDBHSA-N 2 0 327.472 2.278 10 30 EEEERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001501145871 1113214182 /nfs/dbraw/zinc/21/41/82/1113214182.db2.gz GWDRSZZSZDFJRQ-APWZRJJASA-N 2 0 342.487 2.084 10 30 EEEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001506892663 1114954858 /nfs/dbraw/zinc/95/48/58/1114954858.db2.gz XNKCRHHETDQSJV-LNLFQRSKSA-N 2 0 331.504 2.291 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC001507037787 1115074054 /nfs/dbraw/zinc/07/40/54/1115074054.db2.gz YLBYSZLCVZPSQQ-IBGZPJMESA-N 2 0 342.487 2.225 10 30 EEEERP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1(C)C ZINC001507445406 1115273703 /nfs/dbraw/zinc/27/37/03/1115273703.db2.gz BSKMWGXPLFFHTQ-LJQANCHMSA-N 2 0 341.499 2.254 10 30 EEEERP C=C(C[NH+](C)C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC001543406008 1124129431 /nfs/dbraw/zinc/12/94/31/1124129431.db2.gz IPYPHRWOOAGCEQ-KRWDZBQOSA-N 2 0 345.487 2.120 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001568363053 1124438483 /nfs/dbraw/zinc/43/84/83/1124438483.db2.gz NUIJPBMLWUREBA-IEBWSBKVSA-N 2 0 333.520 2.491 10 30 EEEERP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001568923107 1124952140 /nfs/dbraw/zinc/95/21/40/1124952140.db2.gz KKDBSOQGYPQKQZ-HKVOBHHDSA-N 2 0 327.472 2.170 10 30 EEEERP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600718506 468633162 /nfs/dbraw/zinc/63/31/62/468633162.db2.gz XWUDDPLXQBWART-MSOLQXFVSA-N 2 0 337.508 2.302 10 30 EEEERP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261999739 677809302 /nfs/dbraw/zinc/80/93/02/677809302.db2.gz UBUPIMMIXZUKSI-FIDHJVLJSA-N 2 0 336.524 2.084 10 30 EEEERP C[NH+]=C(NCc1ccn(C2CCCC2)n1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261947570 682552520 /nfs/dbraw/zinc/55/25/20/682552520.db2.gz GJLYPBGEXTXLHX-RDTXWAMCSA-N 2 0 344.507 2.146 10 30 EEEERP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000262022506 682877882 /nfs/dbraw/zinc/87/78/82/682877882.db2.gz ZBIZJHYAFOWEPY-AVEIZBFRSA-N 2 0 348.535 2.228 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001772514882 1176504153 /nfs/dbraw/zinc/50/41/53/1176504153.db2.gz DWWDWDLHGXZOLL-QZTJIDSGSA-N 2 0 331.504 2.102 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CC#Cc2ccccc2)C1 ZINC001266466491 1176588962 /nfs/dbraw/zinc/58/89/62/1176588962.db2.gz PPJAWZVTEXENBS-FQEVSTJZSA-N 2 0 341.499 2.160 10 30 EEEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001267190174 1178461535 /nfs/dbraw/zinc/46/15/35/1178461535.db2.gz DMMJGUYQEXTACL-IEBWSBKVSA-N 2 0 333.520 2.347 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001267926928 1180775311 /nfs/dbraw/zinc/77/53/11/1180775311.db2.gz ZDNNOWLSDFSJBG-BRWVUGGUSA-N 2 0 330.476 2.429 10 30 EEEERP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001481494582 1181562606 /nfs/dbraw/zinc/56/26/06/1181562606.db2.gz VPWDVSKEDGIQRQ-IEBWSBKVSA-N 2 0 331.504 2.197 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268523454 1183176838 /nfs/dbraw/zinc/17/68/38/1183176838.db2.gz QOOKTZUEBNUPIT-DCKQQPRJSA-N 2 0 345.874 2.048 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268686570 1183609648 /nfs/dbraw/zinc/60/96/48/1183609648.db2.gz HXPNFACOUHRRCR-ZMSDIMECSA-N 2 0 347.890 2.126 10 30 EEEERP CN(CCC[NH2+]Cc1cccc(C#N)c1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001268847494 1183764286 /nfs/dbraw/zinc/76/42/86/1183764286.db2.gz KCLXTRSWKNMJQW-UHFFFAOYSA-N 2 0 344.503 2.474 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001284376641 1183886981 /nfs/dbraw/zinc/88/69/81/1183886981.db2.gz WSQPEVXTDLMRCK-KBPBESRZSA-N 2 0 335.414 2.129 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001269746775 1184586213 /nfs/dbraw/zinc/58/62/13/1184586213.db2.gz JZLBEGXBOUHOBP-QGZVFWFLSA-N 2 0 333.520 2.491 10 30 EEEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001269838664 1184657676 /nfs/dbraw/zinc/65/76/76/1184657676.db2.gz HXZUHBMUSSNXNM-LPHOPBHVSA-N 2 0 349.519 2.127 10 30 EEEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001270796038 1185390664 /nfs/dbraw/zinc/39/06/64/1185390664.db2.gz CFMIJWJQHROMOR-SVFBPWRDSA-N 2 0 341.499 2.346 10 30 EEEERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001271183318 1186067068 /nfs/dbraw/zinc/06/70/68/1186067068.db2.gz YKGJEPCJFZPPPX-VQIMIIECSA-N 2 0 347.478 2.200 10 30 EEEERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001271894413 1186588621 /nfs/dbraw/zinc/58/86/21/1186588621.db2.gz VQFHVXIFHHTZPA-GOSISDBHSA-N 2 0 349.906 2.374 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001482553142 1186702354 /nfs/dbraw/zinc/70/23/54/1186702354.db2.gz NAFQVPVZNXFREI-HSALFYBXSA-N 2 0 341.499 2.086 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483930157 1191121925 /nfs/dbraw/zinc/12/19/25/1191121925.db2.gz ZDOWCPBWHDUCDX-IEBWSBKVSA-N 2 0 331.504 2.245 10 30 EEEERP C[NH+](C)CCC(=O)NCC1(C)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001484141679 1191236868 /nfs/dbraw/zinc/23/68/68/1191236868.db2.gz GZRBZTLRZNZHAF-UHFFFAOYSA-N 2 0 342.487 2.228 10 30 EEEERP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484198612 1191269588 /nfs/dbraw/zinc/26/95/88/1191269588.db2.gz KETYONOOBFNKFV-OAHLLOKOSA-N 2 0 343.462 2.368 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCn2ccnc2C)C(C)(C)C1 ZINC001484940947 1191586634 /nfs/dbraw/zinc/58/66/34/1191586634.db2.gz SZFVFBHCLKQFSV-QGZVFWFLSA-N 2 0 330.476 2.212 10 30 EEEERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001485155654 1191668480 /nfs/dbraw/zinc/66/84/80/1191668480.db2.gz CLRKBDSSFXOYLV-ZIAGYGMSSA-N 2 0 346.450 2.164 10 30 EEEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001486182850 1193701771 /nfs/dbraw/zinc/70/17/71/1193701771.db2.gz AEQOXBULHZTBLG-AEFFLSMTSA-N 2 0 337.508 2.033 10 30 EEEERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC#Cc3ccccc3)CCC2)C1 ZINC001273154459 1197103906 /nfs/dbraw/zinc/10/39/06/1197103906.db2.gz OCZPLTOGPPSGBW-SFHVURJKSA-N 2 0 339.483 2.008 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC3=CCCCC3)CCC2)CC1 ZINC001273203364 1197511883 /nfs/dbraw/zinc/51/18/83/1197511883.db2.gz XPTYIXVBFNHWSX-UHFFFAOYSA-N 2 0 343.515 2.461 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC001273261258 1197849511 /nfs/dbraw/zinc/84/95/11/1197849511.db2.gz SKMXOEPAKTWTBR-PKOBYXMFSA-N 2 0 349.519 2.034 10 30 EEEERP CC(C)N(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)CC[NH+](C)C ZINC001411199098 1198897506 /nfs/dbraw/zinc/89/75/06/1198897506.db2.gz USWVRNDLPGDAGO-UHFFFAOYSA-N 2 0 330.476 2.179 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000876767323 1199765269 /nfs/dbraw/zinc/76/52/69/1199765269.db2.gz GPQHHFQUHQDIGP-RRQGHBQHSA-N 2 0 335.879 2.483 10 30 EEEERP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001691726137 1204220942 /nfs/dbraw/zinc/22/09/42/1204220942.db2.gz HMCCVCCUTULYEV-INIZCTEOSA-N 2 0 327.900 2.297 10 30 EEEERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)CC[NH2+]CC1 ZINC000925838719 1206158680 /nfs/dbraw/zinc/15/86/80/1206158680.db2.gz NOCFKQPGQYFZAK-OAHLLOKOSA-N 2 0 329.444 2.278 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000900674527 1234641152 /nfs/dbraw/zinc/64/11/52/1234641152.db2.gz YFSKXIAYUXHBER-UHFFFAOYSA-N 2 0 339.549 2.362 10 30 EEEERP CC#CC[NH2+]CCC[C@H](NC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001277546925 1303896593 /nfs/dbraw/zinc/89/65/93/1303896593.db2.gz CDYFTNOJZPOCNV-IBGZPJMESA-N 2 0 339.483 2.333 10 30 EEEERP C#CCN(C(=O)[C@H](C)Cc1c[nH]cn1)C1CC[NH+](CCC=C)CC1 ZINC001278188465 1306225546 /nfs/dbraw/zinc/22/55/46/1306225546.db2.gz QGXRPTSSVFOBBR-MRXNPFEDSA-N 2 0 328.460 2.091 10 30 EEEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC2CCCC2)CC1 ZINC001278194649 1306246813 /nfs/dbraw/zinc/24/68/13/1306246813.db2.gz RPVGGQUEKFQIHF-LJQANCHMSA-N 2 0 333.520 2.443 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)CC1 ZINC001120028256 1309288253 /nfs/dbraw/zinc/28/82/53/1309288253.db2.gz ZKTFOYCUSJAJHD-JENIJYKNSA-N 2 0 348.535 2.399 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001278609423 1317356909 /nfs/dbraw/zinc/35/69/09/1317356909.db2.gz ZCWWPXALIBXFLT-HKUYNNGSSA-N 2 0 331.504 2.006 10 30 EEEERP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001264036971 1322594295 /nfs/dbraw/zinc/59/42/95/1322594295.db2.gz QPPQTJABVICTPI-RTBURBONSA-N 2 0 329.488 2.489 10 30 EEEERP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001264408662 1322693209 /nfs/dbraw/zinc/69/32/09/1322693209.db2.gz PVSGHHNVZZOWQK-HSALFYBXSA-N 2 0 341.499 2.109 10 30 EEEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001264427173 1322698783 /nfs/dbraw/zinc/69/87/83/1322698783.db2.gz IZLKFMKHZDZPEB-WKILWMFISA-N 2 0 339.443 2.332 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)CC(=C)C)CC1 ZINC001264745628 1322800713 /nfs/dbraw/zinc/80/07/13/1322800713.db2.gz NKUCCTCXGPPGED-IBGZPJMESA-N 2 0 331.504 2.221 10 30 EEEERP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001281086484 1322816401 /nfs/dbraw/zinc/81/64/01/1322816401.db2.gz DIBGYJZWJSVIHM-FQEVSTJZSA-N 2 0 333.520 2.302 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001265663058 1323305511 /nfs/dbraw/zinc/30/55/11/1323305511.db2.gz CUOGQWYMSJYGGB-VQTJNVASSA-N 2 0 339.483 2.103 10 30 EEEERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265790677 1323382874 /nfs/dbraw/zinc/38/28/74/1323382874.db2.gz QHXYYRJXBLUGTK-QAPCUYQASA-N 2 0 347.890 2.270 10 30 EEEERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001265823263 1323403020 /nfs/dbraw/zinc/40/30/20/1323403020.db2.gz FUSJWYWUFKSNPU-QGZVFWFLSA-N 2 0 329.488 2.110 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265930628 1323495047 /nfs/dbraw/zinc/49/50/47/1323495047.db2.gz FWKCHLDCPFTOOH-MAUKXSAKSA-N 2 0 325.472 2.356 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001266225031 1323797523 /nfs/dbraw/zinc/79/75/23/1323797523.db2.gz ICQLCOZRZBPJDQ-MRXNPFEDSA-N 2 0 342.443 2.040 10 30 EEEERP C=CCN1Cc2ccc(CNC(=O)[C@@H](F)C[NH+](CC)CC)cc2C1 ZINC001281292403 1324939519 /nfs/dbraw/zinc/93/95/19/1324939519.db2.gz DFAHPUQSIAWHPG-SFHVURJKSA-N 2 0 333.451 2.484 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001281979514 1325553313 /nfs/dbraw/zinc/55/33/13/1325553313.db2.gz AWRWQRLWACOLKF-LJQANCHMSA-N 2 0 333.520 2.302 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2csc(C)c2)CC1 ZINC001282244196 1325667333 /nfs/dbraw/zinc/66/73/33/1325667333.db2.gz ZEGZXTQEHYGTAC-JKSUJKDBSA-N 2 0 347.528 2.385 10 30 EEEERP C=CCCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001282782322 1325785582 /nfs/dbraw/zinc/78/55/82/1325785582.db2.gz RDUVNKBAJFDONS-HXUWFJFHSA-N 2 0 349.519 2.132 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001284229378 1326467416 /nfs/dbraw/zinc/46/74/16/1326467416.db2.gz YIXADKHJWUCNNK-WOJBJXKFSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCc1ccc(CC[NH2+]CC(C)C)cc1 ZINC001491900605 1330296209 /nfs/dbraw/zinc/29/62/09/1330296209.db2.gz SHWXHDZLVDOADN-FQEVSTJZSA-N 2 0 341.499 2.189 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001492031324 1330456211 /nfs/dbraw/zinc/45/62/11/1330456211.db2.gz KHUKGBWSEIYQAH-AZUAARDMSA-N 2 0 341.499 2.397 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCC)C2CCCCC2)CC1 ZINC001319669320 1332737996 /nfs/dbraw/zinc/73/79/96/1332737996.db2.gz PSCZQIGDYSQZSJ-LJQANCHMSA-N 2 0 333.520 2.396 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001320423147 1332880081 /nfs/dbraw/zinc/88/00/81/1332880081.db2.gz UIZQBDBMYZLUDT-XOKHGSTOSA-N 2 0 348.516 2.334 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001321065490 1333009257 /nfs/dbraw/zinc/00/92/57/1333009257.db2.gz AOAMHJZKQVNQJV-PPPANMTLSA-N 2 0 346.500 2.112 10 30 EEEERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001321563354 1333125125 /nfs/dbraw/zinc/12/51/25/1333125125.db2.gz KYFSYAPHAMZUKE-RHSMWYFYSA-N 2 0 335.879 2.126 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001321877627 1333172510 /nfs/dbraw/zinc/17/25/10/1333172510.db2.gz AFXBWKFLTDRHNX-QFBILLFUSA-N 2 0 345.462 2.146 10 30 EEEERP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001323637100 1333503967 /nfs/dbraw/zinc/50/39/67/1333503967.db2.gz JCKWVPAYVRNWDH-IBGZPJMESA-N 2 0 333.520 2.302 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001324087919 1333606006 /nfs/dbraw/zinc/60/60/06/1333606006.db2.gz KATHNJZMGHARHV-LPHOPBHVSA-N 2 0 327.472 2.354 10 30 EEEERP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001324629839 1333726903 /nfs/dbraw/zinc/72/69/03/1333726903.db2.gz TUGCRKZDEBUILC-IBGZPJMESA-N 2 0 342.443 2.040 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001327148212 1334234755 /nfs/dbraw/zinc/23/47/55/1334234755.db2.gz RAUIFHKYFYATLT-FQEVSTJZSA-N 2 0 341.499 2.351 10 30 EEEERP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC001332221897 1335773004 /nfs/dbraw/zinc/77/30/04/1335773004.db2.gz PKTXNFYVVQOLFS-UXHICEINSA-N 2 0 341.499 2.201 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)NCCCCCC2CC[NH2+]CC2)CC1 ZINC001335461061 1336378999 /nfs/dbraw/zinc/37/89/99/1336378999.db2.gz TTZSXHGKYKDWQW-UHFFFAOYSA-N 2 0 336.524 2.496 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C[C@H]1C ZINC001671252649 1354026789 /nfs/dbraw/zinc/02/67/89/1354026789.db2.gz ZYQFOWPVEGXDPC-UYAOXDASSA-N 2 0 341.499 2.349 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001656650612 1354257609 /nfs/dbraw/zinc/25/76/09/1354257609.db2.gz IEHYXSJLCHNEKT-HOJAQTOUSA-N 2 0 345.531 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)C2CC[NH+](CC=C)CC2)CC1 ZINC001661096697 1354590828 /nfs/dbraw/zinc/59/08/28/1354590828.db2.gz AMTDENMQIBTBCU-UHFFFAOYSA-N 2 0 331.504 2.221 10 30 EEEERP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001661349201 1354630186 /nfs/dbraw/zinc/63/01/86/1354630186.db2.gz NOMFZQJEZMONLT-OTWHNJEPSA-N 2 0 327.472 2.098 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001662809671 1354851667 /nfs/dbraw/zinc/85/16/67/1354851667.db2.gz VGFCXCLVFPXSRW-HXUWFJFHSA-N 2 0 341.499 2.189 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CC#Cc1ccc(F)cc1 ZINC001663180962 1354932259 /nfs/dbraw/zinc/93/22/59/1354932259.db2.gz UHYNLUSRCSOGJV-IBGZPJMESA-N 2 0 345.462 2.098 10 30 EEEERP C#CC[NH+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001664894419 1355253977 /nfs/dbraw/zinc/25/39/77/1355253977.db2.gz VBRWMQJNAQURCD-HXUWFJFHSA-N 2 0 341.499 2.483 10 30 EEEERP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001667388000 1355729225 /nfs/dbraw/zinc/72/92/25/1355729225.db2.gz XOCXWPMRKOKWTG-ZWKOTPCHSA-N 2 0 333.520 2.348 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668173189 1355890782 /nfs/dbraw/zinc/89/07/82/1355890782.db2.gz CRRNZUHLLCETQH-LPHOPBHVSA-N 2 0 345.462 2.146 10 30 EEEERP C=C(Br)C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668973132 1356058554 /nfs/dbraw/zinc/05/85/54/1356058554.db2.gz KXFSGBOFPJZLCC-PLNGDYQASA-N 2 0 344.297 2.031 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001671464860 1356344180 /nfs/dbraw/zinc/34/41/80/1356344180.db2.gz AULZFXIBFNWANG-MJGOQNOKSA-N 2 0 331.504 2.362 10 30 EEEERP C=CCC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCOCC1 ZINC001671949666 1356442845 /nfs/dbraw/zinc/44/28/45/1356442845.db2.gz VZSMMXXYGJBSAG-UHFFFAOYSA-N 2 0 345.487 2.193 10 30 EEEERP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001672356564 1356508830 /nfs/dbraw/zinc/50/88/30/1356508830.db2.gz XLZVGPQZLDSCGE-IYWMVGAKSA-N 2 0 345.531 2.489 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001672796890 1356586380 /nfs/dbraw/zinc/58/63/80/1356586380.db2.gz YCQSXQZVBJYAPC-OALUTQOASA-N 2 0 345.531 2.493 10 30 EEEERP C=CCOCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001673396012 1356685049 /nfs/dbraw/zinc/68/50/49/1356685049.db2.gz ATWAWAKPDMIBDP-QGZVFWFLSA-N 2 0 339.524 2.138 10 30 EEEERP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001673645352 1356724943 /nfs/dbraw/zinc/72/49/43/1356724943.db2.gz JGQAYCGZSBBMQE-IEBWSBKVSA-N 2 0 337.483 2.004 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CC[C@H](C)F)CC2)CC1 ZINC001674002567 1356769861 /nfs/dbraw/zinc/76/98/61/1356769861.db2.gz ZVMQMAGCIURSHH-INIZCTEOSA-N 2 0 337.483 2.050 10 30 EEEERP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001691931758 1404964264 /nfs/dbraw/zinc/96/42/64/1404964264.db2.gz HFXRXMCPWWTZRD-WOJBJXKFSA-N 2 0 341.499 2.326 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001698859979 1405115918 /nfs/dbraw/zinc/11/59/18/1405115918.db2.gz FXWMQNJOKGDMIJ-ZWKOTPCHSA-N 2 0 335.536 2.450 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001699419498 1405352627 /nfs/dbraw/zinc/35/26/27/1405352627.db2.gz ZYXUDUWNSIINAR-HNNXBMFYSA-N 2 0 347.890 2.128 10 30 EEEERP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748142 779207358 /nfs/dbraw/zinc/20/73/58/779207358.db2.gz VFIBGBRMCSWRLL-KRWDZBQOSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940971846 779594892 /nfs/dbraw/zinc/59/48/92/779594892.db2.gz DPEVNCKCHVORNV-ROUUACIJSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000907876490 784929425 /nfs/dbraw/zinc/92/94/25/784929425.db2.gz XSXSYSLYESXWNQ-UHFFFAOYSA-N 2 0 347.425 2.416 10 30 EEEERP Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000921732891 795639871 /nfs/dbraw/zinc/63/98/71/795639871.db2.gz LLGANNQAEJQHQY-SFHVURJKSA-N 2 0 326.488 2.433 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001566012487 1125500296 /nfs/dbraw/zinc/50/02/96/1125500296.db2.gz WMDXEPPARNBNDM-RCCFBDPRSA-N 2 0 337.508 2.031 10 30 EEEERP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001438310186 1090788168 /nfs/dbraw/zinc/78/81/68/1090788168.db2.gz JELNBVGICPDOEA-GJZGRUSLSA-N 2 0 348.516 2.479 10 30 EEEERP CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[NH+]1CCCC1 ZINC001438728759 1091265111 /nfs/dbraw/zinc/26/51/11/1091265111.db2.gz ADOHLIXFGSEBCU-IBGZPJMESA-N 2 0 342.487 2.275 10 30 EEEERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001438806372 1091416217 /nfs/dbraw/zinc/41/62/17/1091416217.db2.gz DMDLBENFGNLWQZ-ATZDWAIDSA-N 2 0 342.487 2.129 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2 ZINC001449004030 1094002140 /nfs/dbraw/zinc/00/21/40/1094002140.db2.gz DDVMEUCXHSKJQO-UYAOXDASSA-N 2 0 340.471 2.123 10 30 EEEERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001440840197 1094093668 /nfs/dbraw/zinc/09/36/68/1094093668.db2.gz YNJLYZWWHJFUCS-HOTGVXAUSA-N 2 0 342.487 2.415 10 30 EEEERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2cccc(C#N)c2)C(C)(C)C)C1 ZINC001442174205 1096440319 /nfs/dbraw/zinc/44/03/19/1096440319.db2.gz KLHGNKCLATULQX-ZWKOTPCHSA-N 2 0 342.487 2.130 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001480086749 1099643337 /nfs/dbraw/zinc/64/33/37/1099643337.db2.gz XCLNATMAPWJLHY-SFHVURJKSA-N 2 0 333.520 2.301 10 30 EEEERP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001480115697 1099681060 /nfs/dbraw/zinc/68/10/60/1099681060.db2.gz JGQFJEVRHAPDQH-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001480382521 1100175251 /nfs/dbraw/zinc/17/52/51/1100175251.db2.gz JTLVJQIUJAQOLF-SJLPKXTDSA-N 2 0 342.487 2.227 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CCC[NH+](C)C ZINC001497257052 1102205233 /nfs/dbraw/zinc/20/52/33/1102205233.db2.gz RFXLFKPBDMLZAV-INIZCTEOSA-N 2 0 333.451 2.003 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001447903326 1103559709 /nfs/dbraw/zinc/55/97/09/1103559709.db2.gz DMGMOISAAFEWPN-KGLIPLIRSA-N 2 0 334.439 2.022 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001494147458 1103603191 /nfs/dbraw/zinc/60/31/91/1103603191.db2.gz MJWNPCIOKMUEAA-GOSISDBHSA-N 2 0 341.499 2.208 10 30 EEEERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001494980880 1104622914 /nfs/dbraw/zinc/62/29/14/1104622914.db2.gz IMDWNBGKHYNBAG-KBRIMQKVSA-N 2 0 346.450 2.022 10 30 EEEERP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001495004152 1104646179 /nfs/dbraw/zinc/64/61/79/1104646179.db2.gz UDHACCGOAPONBA-INIZCTEOSA-N 2 0 346.450 2.166 10 30 EEEERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001480773075 1107088709 /nfs/dbraw/zinc/08/87/09/1107088709.db2.gz UNHJNYCDKKTYSJ-CRAIPNDOSA-N 2 0 328.460 2.027 10 30 EEEERP CC[N@H+](C)CCC(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480801460 1107140586 /nfs/dbraw/zinc/14/05/86/1107140586.db2.gz RSYRMOKPCNECTF-MRXNPFEDSA-N 2 0 333.451 2.003 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001479439933 1110696222 /nfs/dbraw/zinc/69/62/22/1110696222.db2.gz XDMFSLGNVHCLEG-ZCNNSNEGSA-N 2 0 339.483 2.007 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC[NH+](C(C)C)CC1 ZINC001500048497 1112592120 /nfs/dbraw/zinc/59/21/20/1112592120.db2.gz NESKBJMGSQSELV-GOSISDBHSA-N 2 0 333.520 2.443 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CCCF)CC1 ZINC001500052127 1112594476 /nfs/dbraw/zinc/59/44/76/1112594476.db2.gz SJRDTGORCSINMT-IEBWSBKVSA-N 2 0 349.494 2.289 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C#N)s1 ZINC001501400199 1113343793 /nfs/dbraw/zinc/34/37/93/1113343793.db2.gz QOTRVSCTTFKGBE-SJORKVTESA-N 2 0 346.500 2.137 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]C[C@H](F)CC)CC1 ZINC001501898550 1113515389 /nfs/dbraw/zinc/51/53/89/1113515389.db2.gz QPZZVEMNCHFLCX-QZTJIDSGSA-N 2 0 337.483 2.050 10 30 EEEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC001507445371 1115273480 /nfs/dbraw/zinc/27/34/80/1115273480.db2.gz BEFQGXOYFKSSTO-BEFAXECRSA-N 2 0 337.483 2.049 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(F)c1 ZINC001508242369 1115458348 /nfs/dbraw/zinc/45/83/48/1115458348.db2.gz NUTGBJOPGFRQMR-GOSISDBHSA-N 2 0 333.451 2.141 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CC2)C2CCCCC2)CC1 ZINC001568348211 1124430882 /nfs/dbraw/zinc/43/08/82/1124430882.db2.gz BFERFSOHWJZDBE-FQEVSTJZSA-N 2 0 345.531 2.396 10 30 EEEERP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000271083810 464279376 /nfs/dbraw/zinc/27/93/76/464279376.db2.gz SBDHQVSEKUWVRJ-IOJLRTSASA-N 2 0 327.472 2.437 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C(C)C ZINC000417057681 466766191 /nfs/dbraw/zinc/76/61/91/466766191.db2.gz CEEDHWNALAWVTF-OTWHNJEPSA-N 2 0 348.535 2.326 10 30 EEEERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C2)CC1 ZINC000594436304 468585772 /nfs/dbraw/zinc/58/57/72/468585772.db2.gz CXDZOKKWAMFEPI-ROUUACIJSA-N 2 0 334.508 2.368 10 30 EEEERP C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)CN1CC[NH+](C)CC1 ZINC000594498954 468609114 /nfs/dbraw/zinc/60/91/14/468609114.db2.gz OBQIFLYZRHNBRW-KRWDZBQOSA-N 2 0 328.504 2.461 10 30 EEEERP C[NH+](C)Cc1cc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)ccc1F ZINC000600723241 468636582 /nfs/dbraw/zinc/63/65/82/468636582.db2.gz BMQHZQSXHHGKDR-QGZVFWFLSA-N 2 0 349.450 2.048 10 30 EEEERP C=CC[C@@]1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662744991 472231492 /nfs/dbraw/zinc/23/14/92/472231492.db2.gz CJECCBZAZSCHTD-ICSRJNTNSA-N 2 0 327.472 2.418 10 30 EEEERP CCC[NH+]1CCC(CNC(=[NH+]CC)N2CC[C@]3(CCOC3)C2)CC1 ZINC000262011339 682838812 /nfs/dbraw/zinc/83/88/12/682838812.db2.gz WPWVACWLHGYMOX-IBGZPJMESA-N 2 0 336.524 2.186 10 30 EEEERP C#CCN(C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000914314351 683480746 /nfs/dbraw/zinc/48/07/46/683480746.db2.gz RZFKDXHTHCANNP-XLIONFOSSA-N 2 0 348.535 2.236 10 30 EEEERP C=CCCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001485557420 1191835251 /nfs/dbraw/zinc/83/52/51/1191835251.db2.gz ALVWVHOTVRRTNK-QUCCMNQESA-N 2 0 349.519 2.130 10 30 EEEERP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266891843 1177729177 /nfs/dbraw/zinc/72/91/77/1177729177.db2.gz RQCULUFKPZULOY-QZTJIDSGSA-N 2 0 333.520 2.348 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C#N)ccc1F ZINC001691339704 1177934706 /nfs/dbraw/zinc/93/47/06/1177934706.db2.gz KYWMUWBNBHYNON-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001267123963 1178291156 /nfs/dbraw/zinc/29/11/56/1178291156.db2.gz ZGXDIXLMDDJNEA-YJBOKZPZSA-N 2 0 347.890 2.270 10 30 EEEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001267190173 1178461078 /nfs/dbraw/zinc/46/10/78/1178461078.db2.gz DMMJGUYQEXTACL-HKUYNNGSSA-N 2 0 333.520 2.347 10 30 EEEERP CC[C@@H](C(=O)NCCN(C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001480936693 1178921435 /nfs/dbraw/zinc/92/14/35/1178921435.db2.gz MLNXIWQNHBRZMU-KRWDZBQOSA-N 2 0 335.879 2.080 10 30 EEEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001267491633 1179164850 /nfs/dbraw/zinc/16/48/50/1179164850.db2.gz LKQCAEXVKMDNQH-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001267491543 1179165096 /nfs/dbraw/zinc/16/50/96/1179165096.db2.gz JLDJCDBJJINCIO-BEFAXECRSA-N 2 0 337.483 2.049 10 30 EEEERP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001267925786 1180773392 /nfs/dbraw/zinc/77/33/92/1180773392.db2.gz NECJWCPIBYCIKC-VJANTYMQSA-N 2 0 349.519 2.223 10 30 EEEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001268108946 1181754077 /nfs/dbraw/zinc/75/40/77/1181754077.db2.gz YNUVJSLOOQCSMN-MRXNPFEDSA-N 2 0 326.444 2.400 10 30 EEEERP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001481941601 1182999906 /nfs/dbraw/zinc/99/99/06/1182999906.db2.gz VBFPICLTNOXGJG-RTBURBONSA-N 2 0 337.483 2.097 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001268542093 1183213198 /nfs/dbraw/zinc/21/31/98/1183213198.db2.gz OSWJHPCHILGYID-LIMHQNJXSA-N 2 0 346.500 2.255 10 30 EEEERP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001271715840 1186389802 /nfs/dbraw/zinc/38/98/02/1186389802.db2.gz QDRPZAZIQFTMQV-BEFAXECRSA-N 2 0 338.455 2.496 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001482571981 1186918797 /nfs/dbraw/zinc/91/87/97/1186918797.db2.gz WCSWWGZTTMGLKI-GOSISDBHSA-N 2 0 346.450 2.024 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001482970245 1187910697 /nfs/dbraw/zinc/91/06/97/1187910697.db2.gz PXPCGTXHYKRSMR-IAGOWNOFSA-N 2 0 342.487 2.369 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001409400919 1189625909 /nfs/dbraw/zinc/62/59/09/1189625909.db2.gz SONUBXWWEGRBAL-STQMWFEESA-N 2 0 333.823 2.116 10 30 EEEERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001409427671 1189661605 /nfs/dbraw/zinc/66/16/05/1189661605.db2.gz XYKXXHCAFSQBRI-ZIAGYGMSSA-N 2 0 346.450 2.022 10 30 EEEERP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483270632 1190294481 /nfs/dbraw/zinc/29/44/81/1190294481.db2.gz BVUBHAXIOZBHHF-IRXDYDNUSA-N 2 0 342.487 2.417 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1ccnc1C(C)C ZINC001483443395 1190482282 /nfs/dbraw/zinc/48/22/82/1190482282.db2.gz QADLBUYYBDTYIY-SJORKVTESA-N 2 0 330.476 2.294 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001272535568 1190870631 /nfs/dbraw/zinc/87/06/31/1190870631.db2.gz XSTBKLQSIZYQSW-PKOBYXMFSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001484556401 1191417786 /nfs/dbraw/zinc/41/77/86/1191417786.db2.gz VHXQMBMLLSHLDZ-FQEVSTJZSA-N 2 0 341.499 2.488 10 30 EEEERP CC#CC[NH2+]C1(CNC(=O)c2ccccc2CC[NH+](C)C)CCC1 ZINC001484645014 1191452005 /nfs/dbraw/zinc/45/20/05/1191452005.db2.gz ZTYPCGLPAMVVNC-UHFFFAOYSA-N 2 0 327.472 2.056 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C[C@@H]1C ZINC001484982818 1191600669 /nfs/dbraw/zinc/60/06/69/1191600669.db2.gz NPBCCDWMEVLMOK-AZUAARDMSA-N 2 0 341.499 2.153 10 30 EEEERP C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001485005007 1191612038 /nfs/dbraw/zinc/61/20/38/1191612038.db2.gz UZIXWLLNMWPRDU-IBGZPJMESA-N 2 0 327.472 2.067 10 30 EEEERP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001485103349 1191652832 /nfs/dbraw/zinc/65/28/32/1191652832.db2.gz OVUXPMIVEUVDGD-HFPIOELMSA-N 2 0 341.499 2.392 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001486210546 1193751073 /nfs/dbraw/zinc/75/10/73/1193751073.db2.gz NEQDVHPZQMSIBW-WMLDXEAASA-N 2 0 346.450 2.024 10 30 EEEERP C[NH+](C)CCCC(=O)NCC1([NH2+]CC#Cc2ccc(F)cc2)CCC1 ZINC001273140886 1196774605 /nfs/dbraw/zinc/77/46/05/1196774605.db2.gz FLAKDVMTBGKYBW-UHFFFAOYSA-N 2 0 345.462 2.148 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001273204582 1197518781 /nfs/dbraw/zinc/51/87/81/1197518781.db2.gz LWBJBTXVYBNYRB-JMRXEAOASA-N 2 0 346.302 2.135 10 30 EEEERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000872229984 1198100290 /nfs/dbraw/zinc/10/02/90/1198100290.db2.gz UPXSTAYKMLWXHY-QPIRBTGLSA-N 2 0 345.487 2.345 10 30 EEEERP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001273434934 1198916692 /nfs/dbraw/zinc/91/66/92/1198916692.db2.gz WWRWHUFATWBIAJ-SFHVURJKSA-N 2 0 330.476 2.083 10 30 EEEERP C(#CC[N@@H+]1CC[C@H]2CSC[C@@H]2C1)C[NH+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565849 1201145162 /nfs/dbraw/zinc/14/51/62/1201145162.db2.gz QWIDZIWXPZWQPP-MHORFTMASA-N 2 0 336.570 2.360 10 30 EEEERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001274519572 1205065509 /nfs/dbraw/zinc/06/55/09/1205065509.db2.gz VUXBLTPHOZTTJQ-ZMBJWTFHSA-N 2 0 345.462 2.025 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001274918886 1205209600 /nfs/dbraw/zinc/20/96/00/1205209600.db2.gz FLJWRYIFISYEQG-MRXNPFEDSA-N 2 0 347.478 2.249 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001275031495 1205239047 /nfs/dbraw/zinc/23/90/47/1205239047.db2.gz NDCZPLFANQBESW-IBGZPJMESA-N 2 0 327.472 2.008 10 30 EEEERP CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000925848454 1206159952 /nfs/dbraw/zinc/15/99/52/1206159952.db2.gz AUIGJWBMUFAYOV-IAGOWNOFSA-N 2 0 327.428 2.284 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000900191475 1234078557 /nfs/dbraw/zinc/07/85/57/1234078557.db2.gz AMGSPDVCCUSADH-UHFFFAOYSA-N 2 0 344.503 2.271 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000900648321 1234607926 /nfs/dbraw/zinc/60/79/26/1234607926.db2.gz QKDSYFZQKDOBHH-IBGZPJMESA-N 2 0 344.503 2.402 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CC=C(C)C)C2)CC1 ZINC001491189360 1258755201 /nfs/dbraw/zinc/75/52/01/1258755201.db2.gz BCZRETUIBCSPHA-GOSISDBHSA-N 2 0 331.504 2.126 10 30 EEEERP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001489338011 1290521080 /nfs/dbraw/zinc/52/10/80/1290521080.db2.gz WAPDCPNCLKUVKQ-AWEZNQCLSA-N 2 0 348.516 2.035 10 30 EEEERP CC[NH+](CC)[C@H](CNC(=O)C#CC1CC[NH2+]CC1)c1ccccc1 ZINC000852790350 1292200092 /nfs/dbraw/zinc/20/00/92/1292200092.db2.gz PNCZEVVXYLJGGE-LJQANCHMSA-N 2 0 327.472 2.189 10 30 EEEERP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCO[C@@H](C)C#N)C2)ccn1 ZINC000856603704 1293579777 /nfs/dbraw/zinc/57/97/77/1293579777.db2.gz DGEWJQRTARTGPV-LPHOPBHVSA-N 2 0 346.475 2.304 10 30 EEEERP C#CCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC[NH+](CC)CC1 ZINC001278185136 1306211586 /nfs/dbraw/zinc/21/15/86/1306211586.db2.gz YRAFSXXPKOTQOE-IBGZPJMESA-N 2 0 337.483 2.145 10 30 EEEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001278632075 1317426322 /nfs/dbraw/zinc/42/63/22/1317426322.db2.gz FDMHHZUAKZNPOX-QZTJIDSGSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001278667640 1317607764 /nfs/dbraw/zinc/60/77/64/1317607764.db2.gz HFOWHVJVZRCVPH-APWZRJJASA-N 2 0 330.476 2.240 10 30 EEEERP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001264126382 1322635589 /nfs/dbraw/zinc/63/55/89/1322635589.db2.gz UKCJGQHSABJLEV-MSOLQXFVSA-N 2 0 339.524 2.136 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001264594115 1322744848 /nfs/dbraw/zinc/74/48/48/1322744848.db2.gz FFKYTFVYUTZCDU-KBPBESRZSA-N 2 0 335.414 2.131 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](Cc1ccccc1C#N)C1CC1 ZINC001265156444 1322954448 /nfs/dbraw/zinc/95/44/48/1322954448.db2.gz ZNMKZMVINQBVGO-LJQANCHMSA-N 2 0 340.471 2.123 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266191888 1323755324 /nfs/dbraw/zinc/75/53/24/1323755324.db2.gz MBTNVMPRLQGWGA-MRXNPFEDSA-N 2 0 333.451 2.002 10 30 EEEERP CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CC#Cc2ccccc2)[C@@H]1C ZINC001691748383 1324997096 /nfs/dbraw/zinc/99/70/96/1324997096.db2.gz NXAXMQKWWPKIOH-QUCCMNQESA-N 2 0 341.499 2.349 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CC(=C)Cl)CC2)CC1 ZINC001281529933 1325231792 /nfs/dbraw/zinc/23/17/92/1325231792.db2.gz FDGMHKAHNIHCSC-UHFFFAOYSA-N 2 0 337.895 2.055 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C[NH2+]CC2CCCC2)C2CC2)CC1 ZINC001283557112 1326129792 /nfs/dbraw/zinc/12/97/92/1326129792.db2.gz OMDUXMSQFPKHIG-HXUWFJFHSA-N 2 0 345.531 2.348 10 30 EEEERP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001492159980 1331023927 /nfs/dbraw/zinc/02/39/27/1331023927.db2.gz MXOPYACBBQRCDE-MRXNPFEDSA-N 2 0 339.443 2.428 10 30 EEEERP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001316772442 1331884922 /nfs/dbraw/zinc/88/49/22/1331884922.db2.gz PQZWYQHVKKNVKG-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001317090549 1332075232 /nfs/dbraw/zinc/07/52/32/1332075232.db2.gz CJMQXVTZCYABSZ-IYARVYRRSA-N 2 0 328.460 2.027 10 30 EEEERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001317511727 1332274851 /nfs/dbraw/zinc/27/48/51/1332274851.db2.gz CFLXWGNHQZDCTA-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001317630700 1332337080 /nfs/dbraw/zinc/33/70/80/1332337080.db2.gz KSIJIENQQUREDF-MOPGFXCFSA-N 2 0 329.488 2.346 10 30 EEEERP CN(CCC[NH2+]Cc1ccc(C#N)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC001322723506 1333314535 /nfs/dbraw/zinc/31/45/35/1333314535.db2.gz KFCKLKIMIPVLIH-UHFFFAOYSA-N 2 0 342.487 2.228 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)C2CCCCCC2)CC1 ZINC001323721379 1333524879 /nfs/dbraw/zinc/52/48/79/1333524879.db2.gz FTMGORQGBWFWIM-UHFFFAOYSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CCC)CC1 ZINC001324426858 1333681037 /nfs/dbraw/zinc/68/10/37/1333681037.db2.gz OEIHQGCUNNAQDW-PKOBYXMFSA-N 2 0 331.504 2.340 10 30 EEEERP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001324974982 1333800090 /nfs/dbraw/zinc/80/00/90/1333800090.db2.gz DPOMTEPVMIFYFH-FQEVSTJZSA-N 2 0 327.472 2.213 10 30 EEEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001326470223 1334099918 /nfs/dbraw/zinc/09/99/18/1334099918.db2.gz ZAUUISKNUNEAED-QFBILLFUSA-N 2 0 327.472 2.459 10 30 EEEERP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001326976674 1334195441 /nfs/dbraw/zinc/19/54/41/1334195441.db2.gz BKGVSBACTRXJJU-KZNAEPCWSA-N 2 0 339.524 2.114 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001569809882 1342949441 /nfs/dbraw/zinc/94/94/41/1342949441.db2.gz DSFXZVFGFFSLDR-LSDHHAIUSA-N 2 0 333.501 2.273 10 30 EEEERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001676480448 1357155188 /nfs/dbraw/zinc/15/51/88/1357155188.db2.gz BNPVHVIWPZCEQE-DOTOQJQBSA-N 2 0 347.890 2.080 10 30 EEEERP C#CCC[NH+]1CC=C(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001677586536 1357363032 /nfs/dbraw/zinc/36/30/32/1357363032.db2.gz IHRAKVLYIJOBPE-UHFFFAOYSA-N 2 0 331.504 2.413 10 30 EEEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001671240614 1353429429 /nfs/dbraw/zinc/42/94/29/1353429429.db2.gz YMXUESDKVVVMGS-HZPDHXFCSA-N 2 0 339.443 2.426 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001656650614 1354257365 /nfs/dbraw/zinc/25/73/65/1354257365.db2.gz IEHYXSJLCHNEKT-RLLQIKCJSA-N 2 0 345.531 2.491 10 30 EEEERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC#Cc1ccccc1)C1CC1 ZINC001661142961 1354596952 /nfs/dbraw/zinc/59/69/52/1354596952.db2.gz PNWWEDMDFXNAIT-PMACEKPBSA-N 2 0 339.483 2.007 10 30 EEEERP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001661220949 1354610876 /nfs/dbraw/zinc/61/08/76/1354610876.db2.gz LSALYLOOAQLHGO-RTBURBONSA-N 2 0 333.520 2.302 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001667332648 1355712609 /nfs/dbraw/zinc/71/26/09/1355712609.db2.gz OSCXUYQLHUZZGT-HKUYNNGSSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)sc1C ZINC001670130905 1356282024 /nfs/dbraw/zinc/28/20/24/1356282024.db2.gz QCFPUMWCZHZEIA-SFHVURJKSA-N 2 0 347.528 2.401 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001672916228 1356614257 /nfs/dbraw/zinc/61/42/57/1356614257.db2.gz OJFYSDBUQLFHDW-HZPDHXFCSA-N 2 0 327.900 2.442 10 30 EEEERP CCC[N@H+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCC1 ZINC001673230500 1356656057 /nfs/dbraw/zinc/65/60/57/1356656057.db2.gz TVXUOZJLLNYVNN-UHFFFAOYSA-N 2 0 341.499 2.399 10 30 EEEERP C=CCOCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001673396011 1356684963 /nfs/dbraw/zinc/68/49/63/1356684963.db2.gz ATWAWAKPDMIBDP-KRWDZBQOSA-N 2 0 339.524 2.138 10 30 EEEERP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001674142529 1356797684 /nfs/dbraw/zinc/79/76/84/1356797684.db2.gz UEJGWKXHIDZRQE-IAGOWNOFSA-N 2 0 337.508 2.033 10 30 EEEERP C#CCC[NH2+]CC1CC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001674599765 1356862366 /nfs/dbraw/zinc/86/23/66/1356862366.db2.gz PKTFLOLNZNHLFA-NKELODKYSA-N 2 0 327.472 2.187 10 30 EEEERP C#CC[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001675666492 1357031856 /nfs/dbraw/zinc/03/18/56/1357031856.db2.gz ZVVIEKYBVIRMFW-UHFFFAOYSA-N 2 0 331.504 2.199 10 30 EEEERP C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)CC2 ZINC001675707642 1357041135 /nfs/dbraw/zinc/04/11/35/1357041135.db2.gz LSPIUQYZJHWNNM-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001698933402 1405172079 /nfs/dbraw/zinc/17/20/79/1405172079.db2.gz SKJYDVZNCQTLEC-AZUAARDMSA-N 2 0 341.499 2.011 10 30 EEEERP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001438423208 1090918874 /nfs/dbraw/zinc/91/88/74/1090918874.db2.gz XVZSMMKLZJNZKP-ZQIUZPCESA-N 2 0 327.900 2.344 10 30 EEEERP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445386123 1091129377 /nfs/dbraw/zinc/12/93/77/1091129377.db2.gz PDTOXLBTXSGUGS-CRAIPNDOSA-N 2 0 328.460 2.027 10 30 EEEERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001448688799 1093751083 /nfs/dbraw/zinc/75/10/83/1093751083.db2.gz ZYDDXMQPCZDISM-CZUORRHYSA-N 2 0 334.489 2.041 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C#N)cc1 ZINC001440753234 1093998278 /nfs/dbraw/zinc/99/82/78/1093998278.db2.gz ZZJYLRWZXDMINM-LJQANCHMSA-N 2 0 342.487 2.321 10 30 EEEERP C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001479495625 1098563851 /nfs/dbraw/zinc/56/38/51/1098563851.db2.gz SDKZPDZRLQQFBO-UONOGXRCSA-N 2 0 346.313 2.110 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCCCC)CC1 ZINC001496920828 1101721595 /nfs/dbraw/zinc/72/15/95/1101721595.db2.gz ZZYALBGGBATTFC-RBUKOAKNSA-N 2 0 333.520 2.396 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001497547993 1102648444 /nfs/dbraw/zinc/64/84/44/1102648444.db2.gz HPSHDJKQYNRRTM-KVLZDYKBSA-N 2 0 345.874 2.048 10 30 EEEERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001494980884 1104623077 /nfs/dbraw/zinc/62/30/77/1104623077.db2.gz IMDWNBGKHYNBAG-XOKHGSTOSA-N 2 0 346.450 2.022 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1cc(C#N)ccc1F)C1CC1 ZINC001498874161 1108257000 /nfs/dbraw/zinc/25/70/00/1108257000.db2.gz JTTQPRGQIOUTTG-GOSISDBHSA-N 2 0 346.450 2.022 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2CCCCC2)C2CC2)CC1 ZINC001498874426 1108259122 /nfs/dbraw/zinc/25/91/22/1108259122.db2.gz KTVBEYLBLJGNFN-HXUWFJFHSA-N 2 0 345.531 2.396 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001498978601 1108406917 /nfs/dbraw/zinc/40/69/17/1108406917.db2.gz HEXITTJASXTGNC-PKOBYXMFSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001499480256 1112312571 /nfs/dbraw/zinc/31/25/71/1112312571.db2.gz FRSKCWFOKMMHCS-ROUUACIJSA-N 2 0 333.520 2.301 10 30 EEEERP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001502966455 1113864111 /nfs/dbraw/zinc/86/41/11/1113864111.db2.gz DGUBLQZQHIMJDO-ZIAGYGMSSA-N 2 0 334.489 2.041 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001505537790 1114039446 /nfs/dbraw/zinc/03/94/46/1114039446.db2.gz MBUQWOZQWSXKRK-UHFFFAOYSA-N 2 0 346.450 2.022 10 30 EEEERP CCCC[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001506544296 1114687782 /nfs/dbraw/zinc/68/77/82/1114687782.db2.gz TXDDZCDVGFUKGN-PBHICJAKSA-N 2 0 348.516 2.479 10 30 EEEERP CCn1cc([C@@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c2cnn(CC)c2)cn1 ZINC000295988614 465044020 /nfs/dbraw/zinc/04/40/20/465044020.db2.gz JSSYWGUTBSTIIS-IYBDPMFKSA-N 2 0 328.464 2.124 10 30 EEEERP CC[NH+]=C(NCc1noc(C)n1)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000088959811 462649471 /nfs/dbraw/zinc/64/94/71/462649471.db2.gz PCSKDFGSYZIIMN-HNNXBMFYSA-N 2 0 348.495 2.230 10 30 EEEERP COc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1C#N ZINC000530248100 467968071 /nfs/dbraw/zinc/96/80/71/467968071.db2.gz FZEOVOURCSMHQH-GOSISDBHSA-N 2 0 329.444 2.157 10 30 EEEERP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594438500 468586786 /nfs/dbraw/zinc/58/67/86/468586786.db2.gz JHQQLCLJQPYFNF-CVEARBPZSA-N 2 0 336.867 2.470 10 30 EEEERP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1C#N ZINC000593323265 468938561 /nfs/dbraw/zinc/93/85/61/468938561.db2.gz SAAHAUORJUEMTD-SCTDSRPQSA-N 2 0 329.444 2.428 10 30 EEEERP C=CC[C@@]1(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CCC[NH2+]1 ZINC000662663134 472194683 /nfs/dbraw/zinc/19/46/83/472194683.db2.gz LQULSDPADZETFS-MJGOQNOKSA-N 2 0 331.460 2.112 10 30 EEEERP C=CC[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662684014 472205303 /nfs/dbraw/zinc/20/53/03/472205303.db2.gz ABBHKUDFSRQCGO-QUCCMNQESA-N 2 0 327.472 2.466 10 30 EEEERP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000662738686 472229433 /nfs/dbraw/zinc/22/94/33/472229433.db2.gz YPVGALISAWRUDG-ICSRJNTNSA-N 2 0 327.472 2.466 10 30 EEEERP [NH2+]=C(NC[C@H]1CCCO1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000161530894 678830793 /nfs/dbraw/zinc/83/07/93/678830793.db2.gz FDYIXLOHFYQMEW-OAHLLOKOSA-N 2 0 336.505 2.043 10 30 EEEERP C#CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000158892132 679365427 /nfs/dbraw/zinc/36/54/27/679365427.db2.gz KFUNEEFRODJCAG-IBGZPJMESA-N 2 0 327.472 2.283 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000928656685 686201519 /nfs/dbraw/zinc/20/15/19/686201519.db2.gz BPNKACKMAJLGLI-UHFFFAOYSA-N 2 0 339.483 2.112 10 30 EEEERP CCCCNC(=[NH2+])NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000305723018 687093726 /nfs/dbraw/zinc/09/37/26/687093726.db2.gz DFGTUMRLFQNEQK-UHFFFAOYSA-N 2 0 343.519 2.423 10 30 EEEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261758334 691208583 /nfs/dbraw/zinc/20/85/83/691208583.db2.gz OCXMRAYREBLWFX-WBVHZDCISA-N 2 0 349.910 2.178 10 30 EEEERP C=CCCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001485557418 1191835167 /nfs/dbraw/zinc/83/51/67/1191835167.db2.gz ALVWVHOTVRRTNK-AZUAARDMSA-N 2 0 349.519 2.130 10 30 EEEERP C#CC[NH2+]CCC[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001485780018 1191948729 /nfs/dbraw/zinc/94/87/29/1191948729.db2.gz PYKLSVJTIZKGDU-MJGOQNOKSA-N 2 0 327.472 2.189 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCCN(CC)Cc1ccc(F)cc1F ZINC001267243205 1178596302 /nfs/dbraw/zinc/59/63/02/1178596302.db2.gz OHBGTWBVQUSCBH-SFHVURJKSA-N 2 0 349.425 2.001 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001267356270 1178817134 /nfs/dbraw/zinc/81/71/34/1178817134.db2.gz CHXZPACWYKKYMB-RBUKOAKNSA-N 2 0 327.472 2.330 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2ccnc2)CC[C@@H]1C(F)(F)F ZINC001691445873 1178831319 /nfs/dbraw/zinc/83/13/19/1178831319.db2.gz MRIDMVWNSUCFRD-KGLIPLIRSA-N 2 0 344.381 2.076 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH2+]CC(=C)C)cc2)CC1 ZINC001267941409 1180796929 /nfs/dbraw/zinc/79/69/29/1180796929.db2.gz XTGUBUWRUQBCPT-UHFFFAOYSA-N 2 0 339.483 2.314 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@H]2C[NH2+]CC(=C)C)CC1 ZINC001268198045 1181993221 /nfs/dbraw/zinc/99/32/21/1181993221.db2.gz NQYKUAXDCHCWFH-PKOBYXMFSA-N 2 0 331.504 2.124 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001268956958 1183850563 /nfs/dbraw/zinc/85/05/63/1183850563.db2.gz BMPQZOKVWPATFH-UHFFFAOYSA-N 2 0 349.906 2.470 10 30 EEEERP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001269615185 1184438882 /nfs/dbraw/zinc/43/88/82/1184438882.db2.gz PFYOHNDZYCAHLD-UZLBHIALSA-N 2 0 331.504 2.149 10 30 EEEERP C[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)CCC[NH+](C)C ZINC001269959968 1184748361 /nfs/dbraw/zinc/74/83/61/1184748361.db2.gz PHLLZZOVJCPCEV-AZUAARDMSA-N 2 0 341.499 2.349 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001270051541 1184812393 /nfs/dbraw/zinc/81/23/93/1184812393.db2.gz YARZLBPEOSQNAK-IEBWSBKVSA-N 2 0 331.504 2.245 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001482439880 1185724944 /nfs/dbraw/zinc/72/49/44/1185724944.db2.gz WXMTXFIOWYSBRW-UYAOXDASSA-N 2 0 341.499 2.205 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001271534834 1186294819 /nfs/dbraw/zinc/29/48/19/1186294819.db2.gz OILVHVRRWWCOCQ-SJORKVTESA-N 2 0 339.911 2.442 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482946029 1187876269 /nfs/dbraw/zinc/87/62/69/1187876269.db2.gz BZEPKXSPUCANPU-ICSRJNTNSA-N 2 0 341.499 2.207 10 30 EEEERP C#CC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCCCC1 ZINC001670973751 1193536605 /nfs/dbraw/zinc/53/66/05/1193536605.db2.gz FQUGQFFVQASZOU-IBGZPJMESA-N 2 0 331.504 2.102 10 30 EEEERP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001670985335 1193538511 /nfs/dbraw/zinc/53/85/11/1193538511.db2.gz PUWKJGVOCXMLCX-UHFFFAOYSA-N 2 0 331.504 2.197 10 30 EEEERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001691623467 1188323720 /nfs/dbraw/zinc/32/37/20/1188323720.db2.gz XVKWIEPSUQKPDA-HXUWFJFHSA-N 2 0 341.499 2.207 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001272321178 1190760207 /nfs/dbraw/zinc/76/02/07/1190760207.db2.gz FVEHBSFYYZIIJI-RBUKOAKNSA-N 2 0 331.504 2.006 10 30 EEEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001484101317 1191211231 /nfs/dbraw/zinc/21/12/31/1191211231.db2.gz QMPSRXHYAZBSQV-FQEVSTJZSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CC=C(C)C)C2)CC1 ZINC001484126509 1191224053 /nfs/dbraw/zinc/22/40/53/1191224053.db2.gz WKDQGMIBVQFITR-FQEVSTJZSA-N 2 0 331.504 2.126 10 30 EEEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001484558382 1191414578 /nfs/dbraw/zinc/41/45/78/1191414578.db2.gz FIPFLDPNJCJGPU-APWZRJJASA-N 2 0 327.472 2.461 10 30 EEEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001484923384 1191576584 /nfs/dbraw/zinc/57/65/84/1191576584.db2.gz NSFQMCMIOFUHBE-IBGZPJMESA-N 2 0 337.483 2.193 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001273412812 1198671533 /nfs/dbraw/zinc/67/15/33/1198671533.db2.gz KMFJVJHXDJHRPM-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C=C(Br)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001411097119 1198783691 /nfs/dbraw/zinc/78/36/91/1198783691.db2.gz JFCDFURIPGEBBD-ZDUSSCGKSA-N 2 0 346.313 2.063 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000876861748 1199797750 /nfs/dbraw/zinc/79/77/50/1199797750.db2.gz GACRVOMIWNXWRF-IMJJTQAJSA-N 2 0 339.842 2.105 10 30 EEEERP C#CC[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000886355873 1202496020 /nfs/dbraw/zinc/49/60/20/1202496020.db2.gz OWHXNJYNVFKGAU-LJQANCHMSA-N 2 0 339.483 2.244 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001274106047 1204373090 /nfs/dbraw/zinc/37/30/90/1204373090.db2.gz UWWDWELLIVNJBV-FFPCURRISA-N 2 0 340.471 2.195 10 30 EEEERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001274412907 1205025469 /nfs/dbraw/zinc/02/54/69/1205025469.db2.gz JGCUDHAGFGDDEL-IHWYPQMZSA-N 2 0 346.500 2.114 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001275571645 1205422692 /nfs/dbraw/zinc/42/26/92/1205422692.db2.gz QJKQBRFAQMGQNT-IAGOWNOFSA-N 2 0 331.504 2.315 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccsc2)CC1 ZINC001275729011 1205501449 /nfs/dbraw/zinc/50/14/49/1205501449.db2.gz JBNLIWGXDJNJOS-HNNXBMFYSA-N 2 0 333.501 2.030 10 30 EEEERP C#CC[NH2+][C@H](CCN(C)C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001276130727 1205791834 /nfs/dbraw/zinc/79/18/34/1205791834.db2.gz ZOFDTNHQPXJIHQ-GOSISDBHSA-N 2 0 326.444 2.352 10 30 EEEERP [NH2+]=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC1CCCCC1 ZINC000303778369 1213905680 /nfs/dbraw/zinc/90/56/80/1213905680.db2.gz JQEYEFUPSPLOJU-UHFFFAOYSA-N 2 0 343.519 2.041 10 30 EEEERP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001491222905 1258802431 /nfs/dbraw/zinc/80/24/31/1258802431.db2.gz SSQNJJCGVMZXKU-FQEVSTJZSA-N 2 0 341.499 2.155 10 30 EEEERP CC#CC[NH+]1CCC(N(CCC)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001490618609 1291529088 /nfs/dbraw/zinc/52/90/88/1291529088.db2.gz OKTPPONSSFFKSQ-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277149125 1301516738 /nfs/dbraw/zinc/51/67/38/1301516738.db2.gz ZMUUDSKLWMJOBL-MAUKXSAKSA-N 2 0 328.460 2.027 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277265024 1302076473 /nfs/dbraw/zinc/07/64/73/1302076473.db2.gz WKMQXRVBVJAOMF-RDTXWAMCSA-N 2 0 346.450 2.166 10 30 EEEERP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001277280150 1302157059 /nfs/dbraw/zinc/15/70/59/1302157059.db2.gz NMBXXBBTQPTTBC-SFHVURJKSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCN(C(=O)CC[N@@H+](C)CCC)C1CC[NH+](C/C=C/Cl)CC1 ZINC001278194515 1306245341 /nfs/dbraw/zinc/24/53/41/1306245341.db2.gz OYESQXMUANPLHR-UXBLZVDNSA-N 2 0 339.911 2.397 10 30 EEEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCOCC1 ZINC001278726542 1317882892 /nfs/dbraw/zinc/88/28/92/1317882892.db2.gz WOIVTHRVALNLRX-KRWDZBQOSA-N 2 0 337.508 2.080 10 30 EEEERP C=CCCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001264448217 1322703883 /nfs/dbraw/zinc/70/38/83/1322703883.db2.gz VIVPIXGJRKNMQL-HSALFYBXSA-N 2 0 341.499 2.489 10 30 EEEERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC001265103926 1322921268 /nfs/dbraw/zinc/92/12/68/1322921268.db2.gz CBIKYAYPQZCIHY-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP CC[C@H](C(=O)NCCC[N@H+](CC)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001265143125 1322945532 /nfs/dbraw/zinc/94/55/32/1322945532.db2.gz XYVJZJYELBWDCA-LJQANCHMSA-N 2 0 347.478 2.346 10 30 EEEERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266155752 1323725093 /nfs/dbraw/zinc/72/50/93/1323725093.db2.gz QHWUZWPMAUOKSQ-VQIMIIECSA-N 2 0 345.462 2.146 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001279282158 1323863538 /nfs/dbraw/zinc/86/35/38/1323863538.db2.gz VDVOCNNQRAPDGQ-MKXGPGLRSA-N 2 0 331.504 2.149 10 30 EEEERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001281748242 1325435135 /nfs/dbraw/zinc/43/51/35/1325435135.db2.gz VAORLCIMWMCBHI-IRXDYDNUSA-N 2 0 345.462 2.003 10 30 EEEERP C=CCC[C@H](C)[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC001281784421 1325454871 /nfs/dbraw/zinc/45/48/71/1325454871.db2.gz UHDBUPXWRQFJCU-SFHVURJKSA-N 2 0 349.519 2.130 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2csc(C)c2)CC1 ZINC001282244195 1325667269 /nfs/dbraw/zinc/66/72/69/1325667269.db2.gz ZEGZXTQEHYGTAC-HZPDHXFCSA-N 2 0 347.528 2.385 10 30 EEEERP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001282664957 1325760164 /nfs/dbraw/zinc/76/01/64/1325760164.db2.gz CKFLRWFWLPFZKN-IAGOWNOFSA-N 2 0 325.472 2.050 10 30 EEEERP C#CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@@]2(C)C1 ZINC001282993137 1325871206 /nfs/dbraw/zinc/87/12/06/1325871206.db2.gz USNXHXUIZJYKQN-OYRHEFFESA-N 2 0 345.531 2.445 10 30 EEEERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001283702981 1326210299 /nfs/dbraw/zinc/21/02/99/1326210299.db2.gz PPNFOHUDVDLICZ-MAUKXSAKSA-N 2 0 349.906 2.468 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001317161385 1332106046 /nfs/dbraw/zinc/10/60/46/1332106046.db2.gz HNPTVFCJWRHRJJ-HXUWFJFHSA-N 2 0 341.499 2.208 10 30 EEEERP C#CCC[NH+]1CC[C@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317788017 1332408737 /nfs/dbraw/zinc/40/87/37/1332408737.db2.gz HTLKIAYBQCWVMH-KRWDZBQOSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001317802873 1332414205 /nfs/dbraw/zinc/41/42/05/1332414205.db2.gz ZSWYYTRIIGRQKZ-IBGZPJMESA-N 2 0 341.499 2.256 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H](C)CC(C)C)CC1 ZINC001318228822 1332493370 /nfs/dbraw/zinc/49/33/70/1332493370.db2.gz SNYZMPIGXXDMSO-IHPCNDPISA-N 2 0 345.531 2.299 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001320149309 1332838030 /nfs/dbraw/zinc/83/80/30/1332838030.db2.gz FMJMZELJSKQVQY-QUCCMNQESA-N 2 0 341.499 2.302 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001323098428 1333385089 /nfs/dbraw/zinc/38/50/89/1333385089.db2.gz CKYVLMUBUDZVIA-UXHICEINSA-N 2 0 341.499 2.109 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001323114345 1333388354 /nfs/dbraw/zinc/38/83/54/1333388354.db2.gz QQHFPVFVBXWACY-HXUWFJFHSA-N 2 0 343.515 2.316 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC001328354177 1334448993 /nfs/dbraw/zinc/44/89/93/1334448993.db2.gz NZSBXXZFOJFKBX-JEVOJNTISA-N 2 0 333.520 2.395 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001331944455 1335683696 /nfs/dbraw/zinc/68/36/96/1335683696.db2.gz QLZJGQRAOIEHLD-QFBILLFUSA-N 2 0 345.462 2.096 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001332812189 1335912096 /nfs/dbraw/zinc/91/20/96/1335912096.db2.gz ZENFADBFUYQQMX-AEFFLSMTSA-N 2 0 333.520 2.395 10 30 EEEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001333023140 1335949653 /nfs/dbraw/zinc/94/96/53/1335949653.db2.gz YFJYKZKHSBVCBR-ZIAGYGMSSA-N 2 0 335.414 2.273 10 30 EEEERP CC[C@@H](C(=O)N(C)CC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001567591145 1342789255 /nfs/dbraw/zinc/78/92/55/1342789255.db2.gz YNKFRZSLHKCFRW-KRWDZBQOSA-N 2 0 335.879 2.080 10 30 EEEERP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001571021770 1343153343 /nfs/dbraw/zinc/15/33/43/1343153343.db2.gz JQCLXUDBEJAOOS-OTWHNJEPSA-N 2 0 331.504 2.102 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001676784487 1357199931 /nfs/dbraw/zinc/19/99/31/1357199931.db2.gz VZJRFGVDMVMCKU-CVEARBPZSA-N 2 0 331.460 2.337 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001661491548 1354645341 /nfs/dbraw/zinc/64/53/41/1354645341.db2.gz OABBRJXBQXAVBF-IYARVYRRSA-N 2 0 347.890 2.270 10 30 EEEERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001662318843 1354779703 /nfs/dbraw/zinc/77/97/03/1354779703.db2.gz BQMKIXHNVXFIGH-OAHLLOKOSA-N 2 0 347.890 2.128 10 30 EEEERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001666563807 1355545206 /nfs/dbraw/zinc/54/52/06/1355545206.db2.gz WCASOOCOQKETEJ-INIZCTEOSA-N 2 0 345.462 2.003 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC#Cc1ccccc1Cl ZINC001671342410 1356330380 /nfs/dbraw/zinc/33/03/80/1356330380.db2.gz JVNYSVWRSAOSJQ-KRWDZBQOSA-N 2 0 347.890 2.224 10 30 EEEERP C=C(C)C[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCOCC1 ZINC001673733139 1356740009 /nfs/dbraw/zinc/74/00/09/1356740009.db2.gz VDWWIYMZUXFBRP-UHFFFAOYSA-N 2 0 342.443 2.087 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001698859975 1405115593 /nfs/dbraw/zinc/11/55/93/1405115593.db2.gz FXWMQNJOKGDMIJ-QZTJIDSGSA-N 2 0 335.536 2.450 10 30 EEEERP CC(C)(C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001699292223 1405323034 /nfs/dbraw/zinc/32/30/34/1405323034.db2.gz ONHBLLRPYQIZMB-ARJAWSKDSA-N 2 0 340.471 2.195 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CC3CCCC3)CC2)CC1 ZINC000940472382 778703354 /nfs/dbraw/zinc/70/33/54/778703354.db2.gz VGIKYYIYZATRBO-UHFFFAOYSA-N 2 0 345.531 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001566533165 1125703114 /nfs/dbraw/zinc/70/31/14/1125703114.db2.gz CWEKRKANZUAEPT-YLJYHZDGSA-N 2 0 345.531 2.491 10 30 EEEERP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001437987584 1090581777 /nfs/dbraw/zinc/58/17/77/1090581777.db2.gz YVNPFNZBUDQLQH-CVEARBPZSA-N 2 0 327.900 2.392 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C#N)c1 ZINC001440189220 1093252904 /nfs/dbraw/zinc/25/29/04/1093252904.db2.gz IOFZZNRWUOAICJ-MOPGFXCFSA-N 2 0 340.471 2.075 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001440387604 1093562415 /nfs/dbraw/zinc/56/24/15/1093562415.db2.gz AUEIOVGDXWXHIZ-QGZVFWFLSA-N 2 0 346.450 2.120 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001442601531 1096970978 /nfs/dbraw/zinc/97/09/78/1096970978.db2.gz HLFYTWPBXXTLNE-HUUCEWRRSA-N 2 0 346.450 2.118 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001480238214 1099869398 /nfs/dbraw/zinc/86/93/98/1099869398.db2.gz PTLXQXXCGFBHPQ-LFGUQSLTSA-N 2 0 339.483 2.148 10 30 EEEERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001480382519 1100175294 /nfs/dbraw/zinc/17/52/94/1100175294.db2.gz JTLVJQIUJAQOLF-AEFFLSMTSA-N 2 0 342.487 2.227 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001497834666 1103166505 /nfs/dbraw/zinc/16/65/05/1103166505.db2.gz HLKUWCYXCZYZRR-MRXNPFEDSA-N 2 0 340.471 2.029 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001497994033 1106752517 /nfs/dbraw/zinc/75/25/17/1106752517.db2.gz VWLMMWYMIPUPID-KDOFPFPSSA-N 2 0 346.450 2.166 10 30 EEEERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001480677520 1106864729 /nfs/dbraw/zinc/86/47/29/1106864729.db2.gz SJYJVPOBDYRQNE-HXUWFJFHSA-N 2 0 341.499 2.208 10 30 EEEERP CCN(CC#Cc1ccccc1)CCNC(=O)CCC[NH+]1CCCC1 ZINC001493064316 1107427018 /nfs/dbraw/zinc/42/70/18/1107427018.db2.gz UPOHFJSAFGFDNS-UHFFFAOYSA-N 2 0 341.499 2.352 10 30 EEEERP CN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001493762125 1108636536 /nfs/dbraw/zinc/63/65/36/1108636536.db2.gz QENFGTBVCGCYKH-QGZVFWFLSA-N 2 0 347.890 2.081 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501153951 1113217816 /nfs/dbraw/zinc/21/78/16/1113217816.db2.gz YQTCIRUCWPGYDK-LPHOPBHVSA-N 2 0 342.487 2.083 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCO1 ZINC001502079859 1113580007 /nfs/dbraw/zinc/58/00/07/1113580007.db2.gz YJWLRTADYAUYTO-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001503690132 1113899183 /nfs/dbraw/zinc/89/91/83/1113899183.db2.gz FEMXWJBJOZHASF-IBGZPJMESA-N 2 0 327.472 2.066 10 30 EEEERP C=CCCC[NH+]1CCO[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001506720392 1114829693 /nfs/dbraw/zinc/82/96/93/1114829693.db2.gz HXQYLPSMUVWZTK-UYAOXDASSA-N 2 0 349.519 2.130 10 30 EEEERP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001507328925 1115195048 /nfs/dbraw/zinc/19/50/48/1115195048.db2.gz YJSVKKKBALNQLV-HKUYNNGSSA-N 2 0 329.488 2.316 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001507360175 1115221442 /nfs/dbraw/zinc/22/14/42/1115221442.db2.gz GELBRVGTXOXZKG-BZUAXINKSA-N 2 0 327.900 2.297 10 30 EEEERP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001508230754 1115455829 /nfs/dbraw/zinc/45/58/29/1115455829.db2.gz TWTOYQLDNQDNIJ-LJQANCHMSA-N 2 0 331.504 2.269 10 30 EEEERP CC[C@@H](C(=O)NC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C(C)C)[NH+](C)C ZINC001568461543 1124524612 /nfs/dbraw/zinc/52/46/12/1124524612.db2.gz BKBOSQQXECFRBN-OALUTQOASA-N 2 0 347.478 2.248 10 30 EEEERP N#CC1(NC(=O)CCc2c[nH]cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000366398728 465703070 /nfs/dbraw/zinc/70/30/70/465703070.db2.gz JRFBGAXEIKKPFX-UHFFFAOYSA-N 2 0 337.427 2.017 10 30 EEEERP C[C@@]1([NH2+]CC#CC[NH2+][C@@]2(C)CCO[C@H]2C2CC2)CCO[C@@H]1C1CC1 ZINC000367465506 466357751 /nfs/dbraw/zinc/35/77/51/466357751.db2.gz ZXJNNQHQKMSYCN-FGYAAKKASA-N 2 0 332.488 2.084 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C(C)C ZINC000417058332 466767638 /nfs/dbraw/zinc/76/76/38/466767638.db2.gz FJRLHUQHDCGTNB-ROUUACIJSA-N 2 0 334.508 2.221 10 30 EEEERP Cc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c(OCC[NH+](C)C)c1 ZINC000594438623 468586447 /nfs/dbraw/zinc/58/64/47/468586447.db2.gz OXCAJYFLZMHPEB-HNNXBMFYSA-N 2 0 332.448 2.285 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C(C)C ZINC000626936939 469762017 /nfs/dbraw/zinc/76/20/17/469762017.db2.gz NYOMGBWXXHACHW-YSIASYRMSA-N 2 0 348.535 2.326 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C(C)C ZINC000669385707 471471557 /nfs/dbraw/zinc/47/15/57/471471557.db2.gz PEJSJRSXALMHOL-ICSRJNTNSA-N 2 0 348.535 2.470 10 30 EEEERP C=CC[C@]1(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000662794802 472254920 /nfs/dbraw/zinc/25/49/20/472254920.db2.gz UBUNEKXWQDHVNN-IMFGXOCKSA-N 2 0 327.472 2.321 10 30 EEEERP C=CC[C@]1(C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662873281 472287012 /nfs/dbraw/zinc/28/70/12/472287012.db2.gz VQPIKXFWSKODRH-TZIWHRDSSA-N 2 0 341.499 2.460 10 30 EEEERP CC[N@H+](C)CCC(=O)NC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001266436450 1176532322 /nfs/dbraw/zinc/53/23/22/1176532322.db2.gz DPBQQBFRHBNLDV-LJQANCHMSA-N 2 0 345.462 2.003 10 30 EEEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266470058 1176596821 /nfs/dbraw/zinc/59/68/21/1176596821.db2.gz YPFVCHJXUCKGNC-GOSISDBHSA-N 2 0 327.472 2.165 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266879554 1177692181 /nfs/dbraw/zinc/69/21/81/1177692181.db2.gz BLSPOMVVNFMHHD-IBGZPJMESA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001267832254 1180602995 /nfs/dbraw/zinc/60/29/95/1180602995.db2.gz ZASGRFQKLPSXJH-IPJDOKCGSA-N 2 0 346.302 2.135 10 30 EEEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001481340343 1181070511 /nfs/dbraw/zinc/07/05/11/1181070511.db2.gz PGTUHRSJSYEETR-INIZCTEOSA-N 2 0 327.472 2.212 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001268153036 1181843229 /nfs/dbraw/zinc/84/32/29/1181843229.db2.gz BSYZWKYRHLQJJT-IRXDYDNUSA-N 2 0 325.472 2.050 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2C[NH2+]CC(=C)C)CC1 ZINC001268198043 1181992598 /nfs/dbraw/zinc/99/25/98/1181992598.db2.gz NQYKUAXDCHCWFH-IEBWSBKVSA-N 2 0 331.504 2.124 10 30 EEEERP C[NH+](C)CCC(=O)N[C@](C)(C[NH2+]Cc1ccc(C#N)cc1F)C1CC1 ZINC001481939820 1182996697 /nfs/dbraw/zinc/99/66/97/1182996697.db2.gz CATQQONRKPRLEE-LJQANCHMSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001481977275 1183066458 /nfs/dbraw/zinc/06/64/58/1183066458.db2.gz SJPQSPPQLDMEGK-HNNXBMFYSA-N 2 0 327.900 2.442 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001482032724 1183174360 /nfs/dbraw/zinc/17/43/60/1183174360.db2.gz IPOMLZCVQSJHCY-LJQANCHMSA-N 2 0 327.472 2.148 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001482060083 1183268384 /nfs/dbraw/zinc/26/83/84/1183268384.db2.gz YXYQQWIDHALFPB-QGZVFWFLSA-N 2 0 339.443 2.428 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001268713230 1183636183 /nfs/dbraw/zinc/63/61/83/1183636183.db2.gz PSXQITCUKUDNSR-HNNXBMFYSA-N 2 0 335.879 2.128 10 30 EEEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001269621708 1184446716 /nfs/dbraw/zinc/44/67/16/1184446716.db2.gz MLVXFZKNHIBBIB-GOSISDBHSA-N 2 0 337.483 2.003 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](CCCF)CC1 ZINC001270315444 1185010505 /nfs/dbraw/zinc/01/05/05/1185010505.db2.gz PBKKXGCWPHMOHL-ZWKOTPCHSA-N 2 0 337.483 2.003 10 30 EEEERP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001270359043 1185044230 /nfs/dbraw/zinc/04/42/30/1185044230.db2.gz QOGCONCFNJBTGS-SFHVURJKSA-N 2 0 343.515 2.363 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C1CCCC1 ZINC001270421535 1185092096 /nfs/dbraw/zinc/09/20/96/1185092096.db2.gz DYJKIINUFATCLB-FQEVSTJZSA-N 2 0 341.499 2.302 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001482329877 1185412442 /nfs/dbraw/zinc/41/24/42/1185412442.db2.gz FOUWCOUJECUMHP-CZUORRHYSA-N 2 0 333.879 2.388 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001271069343 1185855172 /nfs/dbraw/zinc/85/51/72/1185855172.db2.gz ZUYPCNYTYNTYOX-MAUKXSAKSA-N 2 0 347.890 2.222 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001482531056 1186523824 /nfs/dbraw/zinc/52/38/24/1186523824.db2.gz IZZCVLPYBHERLY-IEBWSBKVSA-N 2 0 333.520 2.395 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001482570931 1186907007 /nfs/dbraw/zinc/90/70/07/1186907007.db2.gz POPBTRQRJBWNBY-GOSISDBHSA-N 2 0 346.450 2.024 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC#Cc1ccccc1Cl ZINC001691622873 1188322741 /nfs/dbraw/zinc/32/27/41/1188322741.db2.gz CCILFOSNROZFGZ-UHFFFAOYSA-N 2 0 335.879 2.080 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[C@H](C)n1ccnc1 ZINC001483171596 1189010666 /nfs/dbraw/zinc/01/06/66/1189010666.db2.gz ZCSKAKXBNWRMEK-KGLIPLIRSA-N 2 0 343.406 2.139 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001483197944 1189084131 /nfs/dbraw/zinc/08/41/31/1189084131.db2.gz SXQAEGLSFUUOMA-QAPCUYQASA-N 2 0 328.460 2.027 10 30 EEEERP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CCC(C)C)CC1 ZINC001483987465 1191143602 /nfs/dbraw/zinc/14/36/02/1191143602.db2.gz QSVGFDLFONJVIJ-GOSISDBHSA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001484165859 1191253621 /nfs/dbraw/zinc/25/36/21/1191253621.db2.gz ZQHPXPOXZQABCQ-IBGZPJMESA-N 2 0 333.520 2.350 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484344302 1191312306 /nfs/dbraw/zinc/31/23/06/1191312306.db2.gz UUTICFSVZKYNSS-GJZGRUSLSA-N 2 0 327.900 2.440 10 30 EEEERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]CC#Cc3ccccc3)C2)CCC1 ZINC001485093142 1191653270 /nfs/dbraw/zinc/65/32/70/1191653270.db2.gz BSQOAEPACXZMFY-UHFFFAOYSA-N 2 0 339.483 2.007 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccccc1Cl)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485188095 1191685158 /nfs/dbraw/zinc/68/51/58/1191685158.db2.gz GYSUOECVJPXXIC-CABCVRRESA-N 2 0 335.879 2.126 10 30 EEEERP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001485263381 1191710041 /nfs/dbraw/zinc/71/00/41/1191710041.db2.gz BQXWCSJGQKNLIP-LJQANCHMSA-N 2 0 343.515 2.453 10 30 EEEERP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001273053146 1194357780 /nfs/dbraw/zinc/35/77/80/1194357780.db2.gz UUVOLVZIVSKMDW-MRXNPFEDSA-N 2 0 342.487 2.275 10 30 EEEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001691682443 1197488519 /nfs/dbraw/zinc/48/85/19/1197488519.db2.gz JKMDWCDKWDASAW-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccccc1C#N)C1CC1 ZINC001410321853 1197703324 /nfs/dbraw/zinc/70/33/24/1197703324.db2.gz DLXWPKYVBDUJQM-LJQANCHMSA-N 2 0 342.487 2.225 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001410927666 1198592069 /nfs/dbraw/zinc/59/20/69/1198592069.db2.gz UZGLHRDMQIDVOD-HRCADAONSA-N 2 0 327.900 2.296 10 30 EEEERP COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666482 1201573970 /nfs/dbraw/zinc/57/39/70/1201573970.db2.gz SPYNHNVBTAKKMO-KSZLIROESA-N 2 0 327.428 2.094 10 30 EEEERP C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000886362560 1202497335 /nfs/dbraw/zinc/49/73/35/1202497335.db2.gz CLVZJCPPJONQAD-NLWGTHIKSA-N 2 0 339.483 2.111 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CC/C=C\CC)C2)CC1 ZINC001274300075 1204990448 /nfs/dbraw/zinc/99/04/48/1204990448.db2.gz WCKJVIQTCXIDGO-LOYZYROESA-N 2 0 331.504 2.124 10 30 EEEERP C[C@@H](CN(C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001275720765 1205498564 /nfs/dbraw/zinc/49/85/64/1205498564.db2.gz MOCAAUNBIWPCAR-RDJZCZTQSA-N 2 0 347.890 2.080 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000928649663 1206407166 /nfs/dbraw/zinc/40/71/66/1206407166.db2.gz PKNAEABFKYZKHY-UHFFFAOYSA-N 2 0 339.483 2.500 10 30 EEEERP C[NH+](C)CCOc1cccc(CNC(=[NH2+])NCCc2cccs2)c1 ZINC000303889538 1213920715 /nfs/dbraw/zinc/92/07/15/1213920715.db2.gz LZSLMBHLSROJLJ-UHFFFAOYSA-N 2 0 346.500 2.336 10 30 EEEERP [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000303258551 1215785895 /nfs/dbraw/zinc/78/58/95/1215785895.db2.gz KXSFCSQUUOYOCK-LSDHHAIUSA-N 2 0 336.505 2.043 10 30 EEEERP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852886957 1292225785 /nfs/dbraw/zinc/22/57/85/1292225785.db2.gz ALBVFIYXEGECHY-PXNSSMCTSA-N 2 0 339.483 2.016 10 30 EEEERP CC#CC[NH2+][C@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC001278667568 1317607667 /nfs/dbraw/zinc/60/76/67/1317607667.db2.gz RSAQXLGIFNXTJV-HNAYVOBHSA-N 2 0 337.483 2.049 10 30 EEEERP C#CCC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001279380408 1323892304 /nfs/dbraw/zinc/89/23/04/1323892304.db2.gz QCOSLJABYURVEJ-HDICACEKSA-N 2 0 331.504 2.055 10 30 EEEERP C=CCC[C@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+]1CCCCC1)CO2 ZINC001280979969 1324692511 /nfs/dbraw/zinc/69/25/11/1324692511.db2.gz RKFXDSKUORYSSX-ROUUACIJSA-N 2 0 349.519 2.177 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001284181291 1326450570 /nfs/dbraw/zinc/45/05/70/1326450570.db2.gz WCIZNXLDDOMUAR-HOCLYGCPSA-N 2 0 333.501 2.321 10 30 EEEERP C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001316844474 1331929401 /nfs/dbraw/zinc/92/94/01/1331929401.db2.gz QQWSTNMPNJHNIC-GOSISDBHSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317505664 1332270980 /nfs/dbraw/zinc/27/09/80/1332270980.db2.gz SIQVVKXPDQLXDX-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001318553976 1332559848 /nfs/dbraw/zinc/55/98/48/1332559848.db2.gz DPTLTTWKVUARRW-SJLPKXTDSA-N 2 0 347.890 2.270 10 30 EEEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001319493209 1332711384 /nfs/dbraw/zinc/71/13/84/1332711384.db2.gz WAXKJEGPIPTNAO-HNNXBMFYSA-N 2 0 327.432 2.284 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCc2cccs2)CC1 ZINC001319588967 1332724802 /nfs/dbraw/zinc/72/48/02/1332724802.db2.gz HGSPJMFOYFJLEF-INIZCTEOSA-N 2 0 347.528 2.072 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320464926 1332890439 /nfs/dbraw/zinc/89/04/39/1332890439.db2.gz VVOZUUFNBVGJQE-KBXCAEBGSA-N 2 0 346.450 2.166 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001321540829 1333121020 /nfs/dbraw/zinc/12/10/20/1333121020.db2.gz AICOMNHRASUAAM-OAHLLOKOSA-N 2 0 347.890 2.270 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001321756120 1333153448 /nfs/dbraw/zinc/15/34/48/1333153448.db2.gz JHYIGLRJGOCXKQ-MRXNPFEDSA-N 2 0 345.462 2.096 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC)[C@H](CC)C2)CC1 ZINC001323166461 1333401741 /nfs/dbraw/zinc/40/17/41/1333401741.db2.gz CDCDYSXCEDECNE-IEBWSBKVSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001324259987 1333644188 /nfs/dbraw/zinc/64/41/88/1333644188.db2.gz DHHRRYRBODXKBM-RBUKOAKNSA-N 2 0 327.472 2.283 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001326273598 1334058012 /nfs/dbraw/zinc/05/80/12/1334058012.db2.gz VNKQFGORLULEPB-QZTJIDSGSA-N 2 0 331.504 2.102 10 30 EEEERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccccc1C#N ZINC001327940506 1334367009 /nfs/dbraw/zinc/36/70/09/1334367009.db2.gz NRXQSMSYIHWRQX-LPHOPBHVSA-N 2 0 342.487 2.227 10 30 EEEERP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001328686105 1334499400 /nfs/dbraw/zinc/49/94/00/1334499400.db2.gz AQJMOKHYZYZWBS-ILZDJORESA-N 2 0 327.472 2.419 10 30 EEEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001331282697 1334990307 /nfs/dbraw/zinc/99/03/07/1334990307.db2.gz OYMPBCXVKILMHP-ICSRJNTNSA-N 2 0 345.531 2.491 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC001335459295 1336378562 /nfs/dbraw/zinc/37/85/62/1336378562.db2.gz FGWUGZLDFLZANB-QGZVFWFLSA-N 2 0 348.535 2.448 10 30 EEEERP C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497889363 1342098910 /nfs/dbraw/zinc/09/89/10/1342098910.db2.gz FOHOQLOSDRRURN-YCPHGPKFSA-N 2 0 346.450 2.022 10 30 EEEERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567059493 1342688716 /nfs/dbraw/zinc/68/87/16/1342688716.db2.gz OQCBTOUWWIZUQE-ICSRJNTNSA-N 2 0 341.499 2.395 10 30 EEEERP C#CCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001570366212 1343062243 /nfs/dbraw/zinc/06/22/43/1343062243.db2.gz RVKUJKNTTLOIHM-WBVHZDCISA-N 2 0 331.460 2.195 10 30 EEEERP CC[NH+](CC)C[C@H](F)C(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001676355106 1357140019 /nfs/dbraw/zinc/14/00/19/1357140019.db2.gz HAAZBFLIYDTOHC-MJGOQNOKSA-N 2 0 347.478 2.155 10 30 EEEERP CC[N@@H+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001660502737 1354476371 /nfs/dbraw/zinc/47/63/71/1354476371.db2.gz XQIXYZMZXUEGTB-LJQANCHMSA-N 2 0 345.462 2.100 10 30 EEEERP C#CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001661554847 1354656859 /nfs/dbraw/zinc/65/68/59/1354656859.db2.gz HDNIYQYPPUMHSR-ROUUACIJSA-N 2 0 333.520 2.301 10 30 EEEERP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001663537322 1354983301 /nfs/dbraw/zinc/98/33/01/1354983301.db2.gz MEVONVHWUTZGQY-RTBURBONSA-N 2 0 327.472 2.283 10 30 EEEERP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001663597412 1354996607 /nfs/dbraw/zinc/99/66/07/1354996607.db2.gz AUBSMTHDQKACSY-PMACEKPBSA-N 2 0 341.499 2.062 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCCCC)CC1 ZINC001666219059 1355488060 /nfs/dbraw/zinc/48/80/60/1355488060.db2.gz LKANSUIQCBPNRW-IBGZPJMESA-N 2 0 333.520 2.493 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(F)cc1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001666920580 1355615366 /nfs/dbraw/zinc/61/53/66/1355615366.db2.gz JWKIKFMYPRQKEL-MRXNPFEDSA-N 2 0 345.462 2.098 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCC2CCCC2)CC1 ZINC001667059086 1355641415 /nfs/dbraw/zinc/64/14/15/1355641415.db2.gz MSKRODKXFCNKBL-QGZVFWFLSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C(C)C)C2CCCCC2)CC1 ZINC001667151503 1355658132 /nfs/dbraw/zinc/65/81/32/1355658132.db2.gz NCGWIWPAGQDKOS-IBGZPJMESA-N 2 0 333.520 2.395 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668309110 1355920216 /nfs/dbraw/zinc/92/02/16/1355920216.db2.gz DIUNYWNPKNNRGX-WBVHZDCISA-N 2 0 347.890 2.128 10 30 EEEERP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001672170644 1356472780 /nfs/dbraw/zinc/47/27/80/1356472780.db2.gz JCNNRSJPKGJPSZ-IBGZPJMESA-N 2 0 333.520 2.302 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CC#Cc1ccccc1 ZINC001675263230 1356954586 /nfs/dbraw/zinc/95/45/86/1356954586.db2.gz NTFVVMVXYYURLG-HXUWFJFHSA-N 2 0 341.499 2.351 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001699104283 1405257995 /nfs/dbraw/zinc/25/79/95/1405257995.db2.gz GXUNAEWRAXJDDO-AWEZNQCLSA-N 2 0 346.450 2.166 10 30 EEEERP C#CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941026718 779736350 /nfs/dbraw/zinc/73/63/50/779736350.db2.gz MRUFFNPVGBSOMI-HNAYVOBHSA-N 2 0 337.483 2.049 10 30 EEEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076617 779797663 /nfs/dbraw/zinc/79/76/63/779797663.db2.gz YRQRXWXGQPLVLI-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000913429093 788868295 /nfs/dbraw/zinc/86/82/95/788868295.db2.gz NBIAJDMCPIYHBE-HKUYNNGSSA-N 2 0 329.488 2.379 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000922328136 800605616 /nfs/dbraw/zinc/60/56/16/800605616.db2.gz DUAYSLPDESEPHZ-LJQANCHMSA-N 2 0 346.519 2.180 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001439675458 1092615631 /nfs/dbraw/zinc/61/56/31/1092615631.db2.gz HVANLJIFTMQPIB-ZIAGYGMSSA-N 2 0 346.500 2.231 10 30 EEEERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccccc1C#N)CC2 ZINC001449004018 1094001649 /nfs/dbraw/zinc/00/16/49/1094001649.db2.gz DDVMEUCXHSKJQO-ICSRJNTNSA-N 2 0 340.471 2.123 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001449023947 1094029986 /nfs/dbraw/zinc/02/99/86/1094029986.db2.gz AVXOIXMXWBOYKZ-BZUAXINKSA-N 2 0 327.900 2.297 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001449058863 1094074987 /nfs/dbraw/zinc/07/49/87/1094074987.db2.gz NPRSYIWVJSINCJ-RDJZCZTQSA-N 2 0 346.450 2.024 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001441876505 1095996629 /nfs/dbraw/zinc/99/66/29/1095996629.db2.gz NVFVYZJGILPNRX-VQIMIIECSA-N 2 0 342.487 2.273 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444609367 1099437171 /nfs/dbraw/zinc/43/71/71/1099437171.db2.gz COWLPYGXHSKREA-QFBILLFUSA-N 2 0 342.487 2.369 10 30 EEEERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001480481010 1100289222 /nfs/dbraw/zinc/28/92/22/1100289222.db2.gz UZGLLXKUPSNZIN-ZIAGYGMSSA-N 2 0 334.489 2.088 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001497207006 1102126139 /nfs/dbraw/zinc/12/61/39/1102126139.db2.gz WVDUEABRDQCDPM-CQSZACIVSA-N 2 0 346.450 2.166 10 30 EEEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001480665639 1106847151 /nfs/dbraw/zinc/84/71/51/1106847151.db2.gz NHFDHAJCWTTXTN-GOSISDBHSA-N 2 0 329.488 2.419 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001499913007 1112538153 /nfs/dbraw/zinc/53/81/53/1112538153.db2.gz UENBNAFUIWXNPS-GOSISDBHSA-N 2 0 327.472 2.008 10 30 EEEERP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CC(C)C)CC1 ZINC001500051545 1112593875 /nfs/dbraw/zinc/59/38/75/1112593875.db2.gz HFGQVCFLJIXPKU-UHFFFAOYSA-N 2 0 333.520 2.301 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CCCC1 ZINC001500096331 1112615073 /nfs/dbraw/zinc/61/50/73/1112615073.db2.gz FYLMIXCYYOBFDV-OALUTQOASA-N 2 0 333.520 2.395 10 30 EEEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001501235028 1113255507 /nfs/dbraw/zinc/25/55/07/1113255507.db2.gz BEEAHBZLPHPAHO-QRVBRYPASA-N 2 0 333.520 2.463 10 30 EEEERP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001505416374 1113950272 /nfs/dbraw/zinc/95/02/72/1113950272.db2.gz HBMSPNNCHIYECF-UYAOXDASSA-N 2 0 327.472 2.113 10 30 EEEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001506548512 1114690401 /nfs/dbraw/zinc/69/04/01/1114690401.db2.gz JKPNVRJBDXXOQC-MAUKXSAKSA-N 2 0 325.472 2.097 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001506897919 1114958370 /nfs/dbraw/zinc/95/83/70/1114958370.db2.gz CSFUMWGSUZFLQC-BZUAXINKSA-N 2 0 327.900 2.486 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001569167463 1125141655 /nfs/dbraw/zinc/14/16/55/1125141655.db2.gz BXQFUBFUWIJIQH-OALUTQOASA-N 2 0 333.520 2.395 10 30 EEEERP C#CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000121127787 463084703 /nfs/dbraw/zinc/08/47/03/463084703.db2.gz XDHBETBAYUPRAN-KRWDZBQOSA-N 2 0 330.472 2.223 10 30 EEEERP C[N@H+](C[C@H](O)CC1(C#N)CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302801 469199834 /nfs/dbraw/zinc/19/98/34/469199834.db2.gz KIIUADKVJSFZRZ-RTBURBONSA-N 2 0 327.472 2.495 10 30 EEEERP C=CC[C@@]1(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000662815503 472264433 /nfs/dbraw/zinc/26/44/33/472264433.db2.gz FKNPPSCJDYTFPF-SCTDSRPQSA-N 2 0 331.435 2.167 10 30 EEEERP C[NH+]=C(NCc1ccn(C2CCCC2)n1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000262015854 682848222 /nfs/dbraw/zinc/84/82/22/682848222.db2.gz XSSXMAWYYUEDLW-MAUKXSAKSA-N 2 0 346.523 2.392 10 30 EEEERP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001671488025 1176831740 /nfs/dbraw/zinc/83/17/40/1176831740.db2.gz YMLLTIBRCXYLFQ-BJMVGYQFSA-N 2 0 337.895 2.007 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001266939296 1177853115 /nfs/dbraw/zinc/85/31/15/1177853115.db2.gz FBMJXBLIUBKXPD-HKUYNNGSSA-N 2 0 327.472 2.005 10 30 EEEERP C=C(Br)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001266980385 1177978795 /nfs/dbraw/zinc/97/87/95/1177978795.db2.gz UIQZEAXGXKINID-KBPBESRZSA-N 2 0 346.313 2.063 10 30 EEEERP CCC[N@H+](C)CCC(=O)NCCN(C)CC#Cc1cccc(Cl)c1 ZINC001480939224 1178942497 /nfs/dbraw/zinc/94/24/97/1178942497.db2.gz XOSJTYOPCSZGKL-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)CCC[NH+]1CCCCC1 ZINC001267469901 1179094872 /nfs/dbraw/zinc/09/48/72/1179094872.db2.gz DOJKZLTYHORHPU-UHFFFAOYSA-N 2 0 348.516 2.434 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001267473883 1179106198 /nfs/dbraw/zinc/10/61/98/1179106198.db2.gz OWCCKBTUKGLIAX-CALCHBBNSA-N 2 0 345.462 2.098 10 30 EEEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267917650 1180760404 /nfs/dbraw/zinc/76/04/04/1180760404.db2.gz OCQDVCFIDBZFGL-UHFFFAOYSA-N 2 0 325.884 2.053 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001481432764 1181322505 /nfs/dbraw/zinc/32/25/05/1181322505.db2.gz PQWPNLUZMHHCIR-JKSUJKDBSA-N 2 0 327.900 2.440 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC/C=C/CCC)C1 ZINC001481526483 1181646562 /nfs/dbraw/zinc/64/65/62/1181646562.db2.gz GIDXJQWASDUOBM-KAGICYHLSA-N 2 0 331.504 2.411 10 30 EEEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268550555 1183234195 /nfs/dbraw/zinc/23/41/95/1183234195.db2.gz QLNIXIRXYKMBRP-DWTRPJMMSA-N 2 0 325.884 2.408 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268631299 1183557252 /nfs/dbraw/zinc/55/72/52/1183557252.db2.gz ZYSZQEZVBQJVMZ-SNAWJCMRSA-N 2 0 347.890 2.294 10 30 EEEERP C=CCCC[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001269451360 1184279109 /nfs/dbraw/zinc/27/91/09/1184279109.db2.gz ORWJEVAITXMKJN-UHFFFAOYSA-N 2 0 325.416 2.086 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001270911550 1185735800 /nfs/dbraw/zinc/73/58/00/1185735800.db2.gz ORFNQPSTRSHKBV-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001271218284 1186088201 /nfs/dbraw/zinc/08/82/01/1186088201.db2.gz YCBCBPNIWJYQKR-MRXNPFEDSA-N 2 0 333.520 2.204 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001271618854 1186338158 /nfs/dbraw/zinc/33/81/58/1186338158.db2.gz RPJBVFVJIIUCLN-GOEBONIOSA-N 2 0 333.501 2.131 10 30 EEEERP CC#CC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001271619056 1186338718 /nfs/dbraw/zinc/33/87/18/1186338718.db2.gz RPJBVFVJIIUCLN-ZBFHGGJFSA-N 2 0 333.501 2.131 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001482650144 1187480556 /nfs/dbraw/zinc/48/05/56/1187480556.db2.gz PHUWVLLGJPXMGZ-UHFFFAOYSA-N 2 0 345.531 2.302 10 30 EEEERP C[C@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482888315 1187814470 /nfs/dbraw/zinc/81/44/70/1187814470.db2.gz IUDPFUPAGCRGME-CABCVRRESA-N 2 0 346.450 2.024 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001409413769 1189644828 /nfs/dbraw/zinc/64/48/28/1189644828.db2.gz XZYVTRKKYLQWTF-QWHCGFSZSA-N 2 0 344.297 2.006 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001483608142 1190586998 /nfs/dbraw/zinc/58/69/98/1190586998.db2.gz QPJHGUQBNPJUBO-LJQANCHMSA-N 2 0 345.462 2.002 10 30 EEEERP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001483967980 1191135761 /nfs/dbraw/zinc/13/57/61/1191135761.db2.gz RGCAWLIHJQIPHO-ZWKOTPCHSA-N 2 0 349.519 2.177 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001484519818 1191393662 /nfs/dbraw/zinc/39/36/62/1191393662.db2.gz BFZPBIRVWOKMQW-CVEARBPZSA-N 2 0 327.900 2.440 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001484522280 1191397006 /nfs/dbraw/zinc/39/70/06/1191397006.db2.gz GFGXADBRKRVCSZ-JKSUJKDBSA-N 2 0 327.900 2.442 10 30 EEEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001484812333 1191533117 /nfs/dbraw/zinc/53/31/17/1191533117.db2.gz UIQZVIMTBFZXRK-MRXNPFEDSA-N 2 0 339.911 2.442 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001484926257 1191573129 /nfs/dbraw/zinc/57/31/29/1191573129.db2.gz MUJSNJPHXULVOG-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001485155651 1191668306 /nfs/dbraw/zinc/66/83/06/1191668306.db2.gz CLRKBDSSFXOYLV-UONOGXRCSA-N 2 0 346.450 2.164 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001485228581 1191698280 /nfs/dbraw/zinc/69/82/80/1191698280.db2.gz DLXVQXPLSFMLHL-SJORKVTESA-N 2 0 327.472 2.015 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001273105762 1194389244 /nfs/dbraw/zinc/38/92/44/1194389244.db2.gz XZEICLUNHMMCPB-INIZCTEOSA-N 2 0 333.451 2.003 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001410310126 1197672720 /nfs/dbraw/zinc/67/27/20/1197672720.db2.gz JNILSYRDXJHOAG-ARFHVFGLSA-N 2 0 327.900 2.296 10 30 EEEERP COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866666785 1201573902 /nfs/dbraw/zinc/57/39/02/1201573902.db2.gz WSRXDICIMXBYBZ-QYZOEREBSA-N 2 0 341.455 2.484 10 30 EEEERP C[NH+](C)CC[C@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C(C)(C)C ZINC000867962362 1201716156 /nfs/dbraw/zinc/71/61/56/1201716156.db2.gz OZHZSDPYGSPRQY-ZWKOTPCHSA-N 2 0 342.487 2.228 10 30 EEEERP C#CC[N@@H+](C)CCCNC(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000883667627 1202107116 /nfs/dbraw/zinc/10/71/16/1202107116.db2.gz ALXRUVDNIDWXOI-UHFFFAOYSA-N 2 0 348.535 2.382 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000886576183 1202526206 /nfs/dbraw/zinc/52/62/06/1202526206.db2.gz ZKDHSZGFVUFHHI-IBGZPJMESA-N 2 0 339.483 2.065 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2cccc(F)c2)CC1 ZINC001274841184 1205182062 /nfs/dbraw/zinc/18/20/62/1205182062.db2.gz PRUKLLVOABIEOY-INIZCTEOSA-N 2 0 345.462 2.155 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1 ZINC001276053373 1205753616 /nfs/dbraw/zinc/75/36/16/1205753616.db2.gz WPPVCKMOBGJFFO-MJGOQNOKSA-N 2 0 327.472 2.283 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000901171017 1235312435 /nfs/dbraw/zinc/31/24/35/1235312435.db2.gz GGZFJFLVLBFKOS-INIZCTEOSA-N 2 0 330.476 2.231 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001491022963 1258580468 /nfs/dbraw/zinc/58/04/68/1258580468.db2.gz KUHHPSMIJFMOLV-HSALFYBXSA-N 2 0 339.483 2.149 10 30 EEEERP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852858245 1292218383 /nfs/dbraw/zinc/21/83/83/1292218383.db2.gz WBEZMSDDJZXVKT-UHFFFAOYSA-N 2 0 339.483 2.032 10 30 EEEERP C[C@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000852865515 1292220884 /nfs/dbraw/zinc/22/08/84/1292220884.db2.gz GBUMYLYOOOATMD-PXNSSMCTSA-N 2 0 339.483 2.159 10 30 EEEERP C[NH+](C)CCCC(=O)N1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001491168860 1299650529 /nfs/dbraw/zinc/65/05/29/1299650529.db2.gz IZYNNDUXBPMUQG-HXUWFJFHSA-N 2 0 341.499 2.208 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001277020479 1300901775 /nfs/dbraw/zinc/90/17/75/1300901775.db2.gz UELODCBFYMGNDH-KRWDZBQOSA-N 2 0 345.874 2.024 10 30 EEEERP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001277786210 1304484433 /nfs/dbraw/zinc/48/44/33/1304484433.db2.gz UTMQZSYVUBXGSI-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001278667680 1317608403 /nfs/dbraw/zinc/60/84/03/1317608403.db2.gz ICNLSFAUNGIVPR-FQEVSTJZSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266170256 1323738957 /nfs/dbraw/zinc/73/89/57/1323738957.db2.gz PQXAUWHVABEMIH-MRXNPFEDSA-N 2 0 345.462 2.003 10 30 EEEERP C=CCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)O2 ZINC001280929260 1324647300 /nfs/dbraw/zinc/64/73/00/1324647300.db2.gz CSMIQKYDOUOEKT-MSOLQXFVSA-N 2 0 349.519 2.175 10 30 EEEERP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001281098049 1324760394 /nfs/dbraw/zinc/76/03/94/1324760394.db2.gz AOAZQBYVDPYQQK-HXUWFJFHSA-N 2 0 331.504 2.200 10 30 EEEERP C[C@@H]1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)CN1C(=O)CCC[NH+](C)C ZINC001284005007 1326358966 /nfs/dbraw/zinc/35/89/66/1326358966.db2.gz VBRPWGMZDNOXJG-APWZRJJASA-N 2 0 345.462 2.098 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC[C@@H](C)F)C(C)(C)C)CC1 ZINC001284653694 1326647852 /nfs/dbraw/zinc/64/78/52/1326647852.db2.gz VBSWSRAJTVSLSU-NVXWUHKLSA-N 2 0 339.499 2.200 10 30 EEEERP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001316644572 1327592374 /nfs/dbraw/zinc/59/23/74/1327592374.db2.gz RYEATEXELHGXNI-OTWHNJEPSA-N 2 0 329.488 2.487 10 30 EEEERP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001316644652 1327600516 /nfs/dbraw/zinc/60/05/16/1327600516.db2.gz UFCHJEVWRPVSPW-RBUKOAKNSA-N 2 0 329.488 2.489 10 30 EEEERP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316645158 1327643589 /nfs/dbraw/zinc/64/35/89/1327643589.db2.gz OBXBKZGWWLESKJ-RBUKOAKNSA-N 2 0 341.499 2.489 10 30 EEEERP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001316664224 1330064257 /nfs/dbraw/zinc/06/42/57/1330064257.db2.gz MNCPHRXQASOKCF-ZCNNSNEGSA-N 2 0 341.499 2.253 10 30 EEEERP CC[C@H](C(=O)NCCC[N@H+](CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001316917414 1331983754 /nfs/dbraw/zinc/98/37/54/1331983754.db2.gz CWSBJRRNXBZFOK-HXUWFJFHSA-N 2 0 341.499 2.349 10 30 EEEERP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317180969 1332118123 /nfs/dbraw/zinc/11/81/23/1332118123.db2.gz NRXMDPRHEZVTDG-MOPGFXCFSA-N 2 0 333.520 2.491 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001317642731 1332344437 /nfs/dbraw/zinc/34/44/37/1332344437.db2.gz KZDKRSRBXRPILA-RTBURBONSA-N 2 0 340.471 2.123 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317770574 1332403665 /nfs/dbraw/zinc/40/36/65/1332403665.db2.gz SMWTYFSBGPTFEX-HXUWFJFHSA-N 2 0 345.531 2.445 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001317840994 1332427986 /nfs/dbraw/zinc/42/79/86/1332427986.db2.gz YPGSIFUKURXHCH-MJGOQNOKSA-N 2 0 331.504 2.197 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001319112406 1332650972 /nfs/dbraw/zinc/65/09/72/1332650972.db2.gz ZPDLWSFMJJJJER-LJQANCHMSA-N 2 0 327.472 2.008 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001321532610 1333119745 /nfs/dbraw/zinc/11/97/45/1333119745.db2.gz JKPDLAHOLBOJKL-VQIMIIECSA-N 2 0 345.462 2.146 10 30 EEEERP C=C(C)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCOCC1 ZINC001325003735 1333805786 /nfs/dbraw/zinc/80/57/86/1333805786.db2.gz XQPROCYJFQCTQM-UHFFFAOYSA-N 2 0 337.508 2.082 10 30 EEEERP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001325901864 1333990782 /nfs/dbraw/zinc/99/07/82/1333990782.db2.gz ZIONYXGGSQCVKK-OALUTQOASA-N 2 0 331.504 2.340 10 30 EEEERP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001325901866 1333990956 /nfs/dbraw/zinc/99/09/56/1333990956.db2.gz ZIONYXGGSQCVKK-RTBURBONSA-N 2 0 331.504 2.340 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328098614 1334396138 /nfs/dbraw/zinc/39/61/38/1334396138.db2.gz PDBJRPPIDPQCRW-ZWKOTPCHSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001329740496 1334706170 /nfs/dbraw/zinc/70/61/70/1334706170.db2.gz DFVWBNXTPWDHIH-MOPGFXCFSA-N 2 0 333.520 2.489 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001330896621 1334923190 /nfs/dbraw/zinc/92/31/90/1334923190.db2.gz XSUPIAQTOPTLFE-LPHOPBHVSA-N 2 0 342.487 2.417 10 30 EEEERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccccc1 ZINC001667458612 1355745620 /nfs/dbraw/zinc/74/56/20/1355745620.db2.gz MRPIFJJRHYYOAH-MISYRCLQSA-N 2 0 341.499 2.109 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001500292319 1342139065 /nfs/dbraw/zinc/13/90/65/1342139065.db2.gz IBTNOEWLAOMVAH-YJJPMGAVSA-N 2 0 331.504 2.269 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)C2CC[NH+](CC#CC)CC2)CC1 ZINC001566699826 1342607168 /nfs/dbraw/zinc/60/71/68/1342607168.db2.gz SIVCBMKMLKIERV-UHFFFAOYSA-N 2 0 343.515 2.058 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCC2=CCCCC2)CC1 ZINC001567611923 1342794391 /nfs/dbraw/zinc/79/43/91/1342794391.db2.gz YWSLXCOMDWZBIK-UHFFFAOYSA-N 2 0 331.504 2.270 10 30 EEEERP C#CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C1CC[NH+](CC#CC)CC1 ZINC001569593636 1342904596 /nfs/dbraw/zinc/90/45/96/1342904596.db2.gz GVZNFNHXJBSSGY-IBGZPJMESA-N 2 0 343.515 2.200 10 30 EEEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001571662669 1343265997 /nfs/dbraw/zinc/26/59/97/1343265997.db2.gz MJMLMKHZYAAWSH-TUNPWDSISA-N 2 0 341.499 2.487 10 30 EEEERP CC#CC[NH2+]C1CC(N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001571666926 1343266509 /nfs/dbraw/zinc/26/65/09/1343266509.db2.gz YTKSNLMEOCHEQF-UHFFFAOYSA-N 2 0 331.460 2.337 10 30 EEEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001649458983 1353516794 /nfs/dbraw/zinc/51/67/94/1353516794.db2.gz RBINJRNGDFFSRH-RTBURBONSA-N 2 0 349.519 2.177 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC/C=C\CC)CC1 ZINC001656109127 1354202402 /nfs/dbraw/zinc/20/24/02/1354202402.db2.gz FRGXEPQRCZVMLX-LIXSYLKWSA-N 2 0 331.504 2.221 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001660466064 1354469196 /nfs/dbraw/zinc/46/91/96/1354469196.db2.gz PWKYDFGGJFZXLV-FXAWDEMLSA-N 2 0 341.499 2.397 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001666172536 1355474868 /nfs/dbraw/zinc/47/48/68/1355474868.db2.gz IUMBFWQGYKPNFM-KRWDZBQOSA-N 2 0 327.472 2.213 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001671337283 1356329477 /nfs/dbraw/zinc/32/94/77/1356329477.db2.gz FLZFXSFEMAHSNN-MOPGFXCFSA-N 2 0 331.504 2.387 10 30 EEEERP C#CCN(C(=O)Cc1[nH]cnc1C)C1CC[NH+](CCCCCF)CC1 ZINC001671504163 1356352011 /nfs/dbraw/zinc/35/20/11/1356352011.db2.gz QLKHJMMRTOLDKD-UHFFFAOYSA-N 2 0 348.466 2.327 10 30 EEEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCOCC1 ZINC001671935047 1356441012 /nfs/dbraw/zinc/44/10/12/1356441012.db2.gz SIFHAHULBXUFBU-SFHVURJKSA-N 2 0 349.519 2.225 10 30 EEEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001673601025 1356716621 /nfs/dbraw/zinc/71/66/21/1356716621.db2.gz BVKPDRBFBJYRJC-SFHVURJKSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH2+]CC1CC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001674599763 1356862635 /nfs/dbraw/zinc/86/26/35/1356862635.db2.gz PKTFLOLNZNHLFA-KVZIAJEVSA-N 2 0 327.472 2.187 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001698717142 1405021364 /nfs/dbraw/zinc/02/13/64/1405021364.db2.gz PCXTWTOBJCUJEA-IBGZPJMESA-N 2 0 327.472 2.146 10 30 EEEERP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001698945409 1405175680 /nfs/dbraw/zinc/17/56/80/1405175680.db2.gz KMOOWPHUBUMJDT-DNVCBOLYSA-N 2 0 338.455 2.496 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCCCC)C2)CC1 ZINC001699015484 1405229373 /nfs/dbraw/zinc/22/93/73/1405229373.db2.gz KFORWYUEXWYONC-VQTJNVASSA-N 2 0 345.531 2.445 10 30 EEEERP C=CC[NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCOCC1 ZINC001699882408 1405549161 /nfs/dbraw/zinc/54/91/61/1405549161.db2.gz KSWQIHOQQFDHDK-UHFFFAOYSA-N 2 0 337.508 2.082 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC000939810346 777426607 /nfs/dbraw/zinc/42/66/07/777426607.db2.gz LTKRBJUWOUZAJG-FXAWDEMLSA-N 2 0 345.531 2.348 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941137868 779946257 /nfs/dbraw/zinc/94/62/57/779946257.db2.gz FRXNAKIGUMWODB-GOSISDBHSA-N 2 0 333.520 2.347 10 30 EEEERP C#CCN(C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)C1CC[NH+](C)CC1 ZINC000921565634 789751686 /nfs/dbraw/zinc/75/16/86/789751686.db2.gz NNYNINULHMNJBI-GOSISDBHSA-N 2 0 348.535 2.093 10 30 EEEERP C#CCN(C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000914099938 794873564 /nfs/dbraw/zinc/87/35/64/794873564.db2.gz NUJLVFVBPGRJGI-GOSISDBHSA-N 2 0 348.535 2.238 10 30 EEEERP N#Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cs1 ZINC000921981387 798551624 /nfs/dbraw/zinc/55/16/24/798551624.db2.gz TWLKRQLPPBFVMO-KRWDZBQOSA-N 2 0 327.453 2.476 10 30 EEEERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001566465927 1125625932 /nfs/dbraw/zinc/62/59/32/1125625932.db2.gz JRXKNRVWLSVIRK-MRXNPFEDSA-N 2 0 334.489 2.042 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001437310238 1089468847 /nfs/dbraw/zinc/46/88/47/1089468847.db2.gz JKPGPROMNOQAHN-WMLDXEAASA-N 2 0 345.890 2.390 10 30 EEEERP C[C@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001437380072 1089628321 /nfs/dbraw/zinc/62/83/21/1089628321.db2.gz OHJIQDWICPHQDM-HUUCEWRRSA-N 2 0 348.516 2.479 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001437836744 1090423388 /nfs/dbraw/zinc/42/33/88/1090423388.db2.gz FQLXNFJLWAZBJP-RHSMWYFYSA-N 2 0 339.911 2.297 10 30 EEEERP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CN1C(=O)CCC[NH+](C)C ZINC001441828634 1095883833 /nfs/dbraw/zinc/88/38/33/1095883833.db2.gz BMGWMNVOONOMMN-WMLDXEAASA-N 2 0 346.450 2.118 10 30 EEEERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001442253751 1096554901 /nfs/dbraw/zinc/55/49/01/1096554901.db2.gz DJNUOJMPASSSNT-RDTXWAMCSA-N 2 0 346.450 2.166 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480286197 1099993920 /nfs/dbraw/zinc/99/39/20/1099993920.db2.gz NWASGINTRZKPCP-PKOBYXMFSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC001496325536 1100921484 /nfs/dbraw/zinc/92/14/84/1100921484.db2.gz STKPAJUFLVRXMN-LJQANCHMSA-N 2 0 333.520 2.396 10 30 EEEERP C=CCOCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001496417642 1101012262 /nfs/dbraw/zinc/01/22/62/1101012262.db2.gz BVDQNGMPVLMHCS-ICSRJNTNSA-N 2 0 349.519 2.036 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H](C)[NH2+]CC(C)C)C2)CC1 ZINC001496466134 1101058524 /nfs/dbraw/zinc/05/85/24/1101058524.db2.gz ZBTLKHMWSXULDF-IEBWSBKVSA-N 2 0 333.520 2.204 10 30 EEEERP CC#CC[N@H+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001496504170 1101100323 /nfs/dbraw/zinc/10/03/23/1101100323.db2.gz CHHMUGMHZAOIKK-IBGZPJMESA-N 2 0 333.520 2.445 10 30 EEEERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001496603450 1101204276 /nfs/dbraw/zinc/20/42/76/1101204276.db2.gz ROVQIEJUELNTTR-LPHOPBHVSA-N 2 0 342.487 2.130 10 30 EEEERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001494984685 1104629920 /nfs/dbraw/zinc/62/99/20/1104629920.db2.gz JYBNTQBZVBKDJI-OALUTQOASA-N 2 0 342.487 2.415 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001493546153 1108294169 /nfs/dbraw/zinc/29/41/69/1108294169.db2.gz NGAXCSWUTWJRPF-IBGZPJMESA-N 2 0 345.462 2.098 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001499846719 1112510866 /nfs/dbraw/zinc/51/08/66/1112510866.db2.gz ANGOXQKFNOYHLR-QFBILLFUSA-N 2 0 327.472 2.354 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001500162046 1112648054 /nfs/dbraw/zinc/64/80/54/1112648054.db2.gz OJUVNJWBJMKJDU-KRWDZBQOSA-N 2 0 327.900 2.395 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001507161786 1115141952 /nfs/dbraw/zinc/14/19/52/1115141952.db2.gz MPMAEZRLBXVTIT-KBPBESRZSA-N 2 0 346.313 2.206 10 30 EEEERP CC#CC[NH2+][C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1ccccc1 ZINC001507390215 1115247278 /nfs/dbraw/zinc/24/72/78/1115247278.db2.gz SWDKLEIYFKBVCV-AZUAARDMSA-N 2 0 341.499 2.059 10 30 EEEERP C=C(C[NH+](C)C)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001540851843 1124094963 /nfs/dbraw/zinc/09/49/63/1124094963.db2.gz DDOKCLPYCYCIBS-CALCHBBNSA-N 2 0 345.487 2.030 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001568392909 1124462268 /nfs/dbraw/zinc/46/22/68/1124462268.db2.gz ZFYNLMAMZSWBPE-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001568406168 1124475242 /nfs/dbraw/zinc/47/52/42/1124475242.db2.gz FDUKUJOVYCPVEU-GJZGRUSLSA-N 2 0 333.501 2.273 10 30 EEEERP CCC[NH+]1CCC(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000518518791 267017463 /nfs/dbraw/zinc/01/74/63/267017463.db2.gz GSENAOZCYCKKMP-UHFFFAOYSA-N 2 0 349.500 2.044 10 30 EEEERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352837994 274218793 /nfs/dbraw/zinc/21/87/93/274218793.db2.gz CWPGXDPTNSVTJH-ZDUSSCGKSA-N 2 0 340.393 2.303 10 30 EEEERP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047970428 462844448 /nfs/dbraw/zinc/84/44/48/462844448.db2.gz LMYPTMHUDFBQCF-LJQANCHMSA-N 2 0 343.471 2.106 10 30 EEEERP CO[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451555594 467259127 /nfs/dbraw/zinc/25/91/27/467259127.db2.gz JBOZOJUIAFIYHZ-QZTJIDSGSA-N 2 0 336.520 2.484 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594440895 468588617 /nfs/dbraw/zinc/58/86/17/468588617.db2.gz JDFNTOWTIFLPEZ-QZTJIDSGSA-N 2 0 328.460 2.178 10 30 EEEERP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600717274 468631913 /nfs/dbraw/zinc/63/19/13/468631913.db2.gz PXHOKWROVUDKLU-MSOLQXFVSA-N 2 0 337.508 2.159 10 30 EEEERP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C(C)(C)C ZINC000600723368 468636262 /nfs/dbraw/zinc/63/62/62/468636262.db2.gz LIBFEHCGAJSYTK-HOTGVXAUSA-N 2 0 325.497 2.014 10 30 EEEERP C[C@@H]1[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000592788941 468786699 /nfs/dbraw/zinc/78/66/99/468786699.db2.gz PNYLLVCAFGQLQM-SJLPKXTDSA-N 2 0 340.471 2.001 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416150966 526420049 /nfs/dbraw/zinc/42/00/49/526420049.db2.gz NHBYDNVJRKRIDK-UHFFFAOYSA-N 2 0 327.472 2.201 10 30 EEEERP C[C@]1(CNC(=[NH2+])N2CCSCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000162457775 682015963 /nfs/dbraw/zinc/01/59/63/682015963.db2.gz MFIQRTIEMRCBSI-GOSISDBHSA-N 2 0 332.517 2.405 10 30 EEEERP C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261980227 682722929 /nfs/dbraw/zinc/72/29/29/682722929.db2.gz OSRANVZDJDOLGY-JBCQCRMPSA-N 2 0 340.515 2.466 10 30 EEEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485812131 1191973071 /nfs/dbraw/zinc/97/30/71/1191973071.db2.gz ULJWTLKOTOEWEM-ICSRJNTNSA-N 2 0 345.531 2.491 10 30 EEEERP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2cnccc2OC)C1 ZINC001266892483 1177730971 /nfs/dbraw/zinc/73/09/71/1177730971.db2.gz VWDUWLCSLOLKOM-HZPDHXFCSA-N 2 0 331.460 2.426 10 30 EEEERP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001691427881 1178314777 /nfs/dbraw/zinc/31/47/77/1178314777.db2.gz GLXFZYXQGNMJPC-BHIYHBOVSA-N 2 0 331.504 2.101 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001267182012 1178441376 /nfs/dbraw/zinc/44/13/76/1178441376.db2.gz SGOKTHVRPUCDMJ-MOPGFXCFSA-N 2 0 333.520 2.491 10 30 EEEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001267489635 1179160799 /nfs/dbraw/zinc/16/07/99/1179160799.db2.gz WESDLFNSZBLPCK-HNNXBMFYSA-N 2 0 338.455 2.496 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001268163889 1181882484 /nfs/dbraw/zinc/88/24/84/1181882484.db2.gz RPLZTFVAKQFDJW-FQEVSTJZSA-N 2 0 341.499 2.398 10 30 EEEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001270024391 1184792130 /nfs/dbraw/zinc/79/21/30/1184792130.db2.gz CMNGACNTLXASQM-GPMSIDNRSA-N 2 0 337.483 2.239 10 30 EEEERP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001270346082 1185035084 /nfs/dbraw/zinc/03/50/84/1185035084.db2.gz YMQPGDRGXCEIPT-LMDPOFIKSA-N 2 0 345.531 2.301 10 30 EEEERP C#CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C1CC[NH+](CC=C)CC1 ZINC001270350931 1185039407 /nfs/dbraw/zinc/03/94/07/1185039407.db2.gz FLRRZZVEIOGCGU-UHFFFAOYSA-N 2 0 339.483 2.474 10 30 EEEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001271334222 1186144587 /nfs/dbraw/zinc/14/45/87/1186144587.db2.gz GVRHMHOUEHNYIK-RTBURBONSA-N 2 0 331.504 2.006 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001271534833 1186295042 /nfs/dbraw/zinc/29/50/42/1186295042.db2.gz OILVHVRRWWCOCQ-IRXDYDNUSA-N 2 0 339.911 2.442 10 30 EEEERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001482623574 1187448831 /nfs/dbraw/zinc/44/88/31/1187448831.db2.gz YUVBPADGRXKZET-LPHOPBHVSA-N 2 0 342.487 2.179 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccnc1C(C)C ZINC001483443393 1190482357 /nfs/dbraw/zinc/48/23/57/1190482357.db2.gz QADLBUYYBDTYIY-IRXDYDNUSA-N 2 0 330.476 2.294 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001483951053 1191129248 /nfs/dbraw/zinc/12/92/48/1191129248.db2.gz WUMRBOGGIJIHJO-KRWDZBQOSA-N 2 0 346.450 2.120 10 30 EEEERP C#CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1CC[NH+](C(C)C)CC1 ZINC001483985366 1191142465 /nfs/dbraw/zinc/14/24/65/1191142465.db2.gz UTESWKCXBPFFAJ-QGZVFWFLSA-N 2 0 325.472 2.001 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001483986857 1191143285 /nfs/dbraw/zinc/14/32/85/1191143285.db2.gz UULGOTSXGKGDKW-IBGZPJMESA-N 2 0 333.520 2.443 10 30 EEEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001485030823 1191621129 /nfs/dbraw/zinc/62/11/29/1191621129.db2.gz CZUPJXVLUAZXTQ-IAGOWNOFSA-N 2 0 328.460 2.097 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272968231 1194277276 /nfs/dbraw/zinc/27/72/76/1194277276.db2.gz YJCXLAYEYUXBJZ-KDOFPFPSSA-N 2 0 346.450 2.166 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273018786 1194324903 /nfs/dbraw/zinc/32/49/03/1194324903.db2.gz OSBGXQBEWLUUAA-CABCVRRESA-N 2 0 346.450 2.024 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C(C)C ZINC000875087455 1199133110 /nfs/dbraw/zinc/13/31/10/1199133110.db2.gz MMLIEPPNKDPSCH-GUDVDZBRSA-N 2 0 348.535 2.421 10 30 EEEERP C=CCOc1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000877667916 1200017605 /nfs/dbraw/zinc/01/76/05/1200017605.db2.gz CTFUSSOTJMVGMA-RTBURBONSA-N 2 0 331.504 2.423 10 30 EEEERP C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000886362562 1202497315 /nfs/dbraw/zinc/49/73/15/1202497315.db2.gz CLVZJCPPJONQAD-QWFCFKBJSA-N 2 0 339.483 2.111 10 30 EEEERP C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000886362559 1202497324 /nfs/dbraw/zinc/49/73/24/1202497324.db2.gz CLVZJCPPJONQAD-GGPKGHCWSA-N 2 0 339.483 2.111 10 30 EEEERP CC[C@H](C(=O)N1CCC(C)([NH2+]CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001274344694 1205001893 /nfs/dbraw/zinc/00/18/93/1205001893.db2.gz DCSSLZFJXPBHSL-LJQANCHMSA-N 2 0 341.499 2.349 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000928657939 1206408681 /nfs/dbraw/zinc/40/86/81/1206408681.db2.gz FXFYFFZGOUHEKW-LJQANCHMSA-N 2 0 327.472 2.283 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000901004280 1235102592 /nfs/dbraw/zinc/10/25/92/1235102592.db2.gz UOCGKYHGXKUZHS-UHFFFAOYSA-N 2 0 345.487 2.337 10 30 EEEERP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001491351237 1258991940 /nfs/dbraw/zinc/99/19/40/1258991940.db2.gz BRIXVKBEJUKSLZ-TVPLGVNVSA-N 2 0 331.504 2.434 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267891530 1276774747 /nfs/dbraw/zinc/77/47/47/1276774747.db2.gz QRPKQUCFZSCSJJ-RBUKOAKNSA-N 2 0 333.520 2.350 10 30 EEEERP C[N@@H+]1CCC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000852869644 1292221976 /nfs/dbraw/zinc/22/19/76/1292221976.db2.gz DBTWSEBKGXNRMN-QFBILLFUSA-N 2 0 345.512 2.250 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)CC1 ZINC000857929294 1293956597 /nfs/dbraw/zinc/95/65/97/1293956597.db2.gz DFRYGXFAFXRPGO-LJQANCHMSA-N 2 0 339.483 2.241 10 30 EEEERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccccc1C#N ZINC001491545239 1301156975 /nfs/dbraw/zinc/15/69/75/1301156975.db2.gz AVBSDKMSOPJARI-OAHLLOKOSA-N 2 0 328.460 2.027 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](CC#C)CC1)C1CC[NH+](CCCC)CC1 ZINC001278200501 1306283498 /nfs/dbraw/zinc/28/34/98/1306283498.db2.gz LCWQVPKMYQIJTH-UHFFFAOYSA-N 2 0 343.515 2.058 10 30 EEEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001278498468 1310828919 /nfs/dbraw/zinc/82/89/19/1310828919.db2.gz LFGKUYVDUVWCOU-WIYYLYMNSA-N 2 0 345.531 2.493 10 30 EEEERP C#CCC[NH+]1CCC(NC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000841397717 1315546126 /nfs/dbraw/zinc/54/61/26/1315546126.db2.gz OFVSVYTYHIZTKM-UHFFFAOYSA-N 2 0 339.483 2.039 10 30 EEEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001278529482 1317156087 /nfs/dbraw/zinc/15/60/87/1317156087.db2.gz QHZOJIQLARFSHM-NRFANRHFSA-N 2 0 341.499 2.256 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001278702629 1317794009 /nfs/dbraw/zinc/79/40/09/1317794009.db2.gz AUESPYUASVJFAO-UONOGXRCSA-N 2 0 335.414 2.131 10 30 EEEERP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278747888 1317957996 /nfs/dbraw/zinc/95/79/96/1317957996.db2.gz ULVKLYLKMOVTGB-GJZGRUSLSA-N 2 0 331.451 2.222 10 30 EEEERP CC[N@@H+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266054527 1323606258 /nfs/dbraw/zinc/60/62/58/1323606258.db2.gz VCNQSGFCDWUDJV-HXUWFJFHSA-N 2 0 341.499 2.351 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(F)c1 ZINC001279722930 1323986367 /nfs/dbraw/zinc/98/63/67/1323986367.db2.gz PLASHXACQDVFPL-HUUCEWRRSA-N 2 0 331.435 2.038 10 30 EEEERP C=C(C)C[NH2+][C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001284148078 1326435375 /nfs/dbraw/zinc/43/53/75/1326435375.db2.gz DWQCCFVCOKAYSY-OALUTQOASA-N 2 0 329.488 2.364 10 30 EEEERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001492043948 1330417492 /nfs/dbraw/zinc/41/74/92/1330417492.db2.gz RHAHVEYGZZNFQP-QAPCUYQASA-N 2 0 328.460 2.027 10 30 EEEERP C=CCOCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001316933382 1331999347 /nfs/dbraw/zinc/99/93/47/1331999347.db2.gz JNCNZRJQKSKDLM-MOPGFXCFSA-N 2 0 349.519 2.129 10 30 EEEERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317263154 1332157852 /nfs/dbraw/zinc/15/78/52/1332157852.db2.gz DLDSCDKIIPYKOR-OAHLLOKOSA-N 2 0 347.890 2.128 10 30 EEEERP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001317842331 1332428422 /nfs/dbraw/zinc/42/84/22/1332428422.db2.gz OYLOHYPEYMVQRG-VQTJNVASSA-N 2 0 341.499 2.159 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001318804637 1332601082 /nfs/dbraw/zinc/60/10/82/1332601082.db2.gz KUWGAKRLECGXBK-RBUKOAKNSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001323661018 1333511103 /nfs/dbraw/zinc/51/11/03/1333511103.db2.gz SSVGSNHVROGDEG-AYHJJNSGSA-N 2 0 349.519 2.033 10 30 EEEERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001324812957 1333765590 /nfs/dbraw/zinc/76/55/90/1333765590.db2.gz KCQPRRLPEKWSND-CTNGQTDRSA-N 2 0 341.499 2.207 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001325582306 1333917090 /nfs/dbraw/zinc/91/70/90/1333917090.db2.gz PYRKLNAOMCLZAX-LPHOPBHVSA-N 2 0 333.520 2.369 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001325679431 1333939460 /nfs/dbraw/zinc/93/94/60/1333939460.db2.gz IRRARKDKSSWDJJ-IYARVYRRSA-N 2 0 333.520 2.252 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001326540539 1334112293 /nfs/dbraw/zinc/11/22/93/1334112293.db2.gz BZOIHOYBNGEJJQ-GUDVDZBRSA-N 2 0 333.520 2.396 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001326558229 1334115229 /nfs/dbraw/zinc/11/52/29/1334115229.db2.gz JUCRGWMURZOQKJ-IRJFHVNHSA-N 2 0 345.531 2.396 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001327148203 1334234626 /nfs/dbraw/zinc/23/46/26/1334234626.db2.gz QZUDQFNDIKECLM-LJQANCHMSA-N 2 0 345.462 2.100 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001328797469 1334523293 /nfs/dbraw/zinc/52/32/93/1334523293.db2.gz NTZBUWMEMNSXBB-RBUKOAKNSA-N 2 0 333.520 2.443 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001329203207 1334605566 /nfs/dbraw/zinc/60/55/66/1334605566.db2.gz QYKZDYCUBINSCV-VJQRRLSASA-N 2 0 346.302 2.133 10 30 EEEERP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001330308921 1334820947 /nfs/dbraw/zinc/82/09/47/1334820947.db2.gz JQFNVDRJUCXWHP-NNZMDNLPSA-N 2 0 331.504 2.123 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC(C)C)[C@H]2C)CC1 ZINC001331942550 1335682798 /nfs/dbraw/zinc/68/27/98/1335682798.db2.gz CKYHAWHOYJEYGD-MJGOQNOKSA-N 2 0 333.520 2.347 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001332458539 1335828416 /nfs/dbraw/zinc/82/84/16/1335828416.db2.gz HWSAISIGOAPRMZ-UKRRQHHQSA-N 2 0 347.425 2.273 10 30 EEEERP C=CCOCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001566955065 1342659236 /nfs/dbraw/zinc/65/92/36/1342659236.db2.gz HQPASNQFCVVPFS-MOPGFXCFSA-N 2 0 349.519 2.130 10 30 EEEERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567059494 1342688673 /nfs/dbraw/zinc/68/86/73/1342688673.db2.gz OQCBTOUWWIZUQE-QUCCMNQESA-N 2 0 341.499 2.395 10 30 EEEERP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001571512855 1343225039 /nfs/dbraw/zinc/22/50/39/1343225039.db2.gz LJFPHITVKQWULT-IPMKNSEASA-N 2 0 331.504 2.102 10 30 EEEERP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001676888997 1357233904 /nfs/dbraw/zinc/23/39/04/1357233904.db2.gz XMNJQNOJCJSLRC-FUHWJXTLSA-N 2 0 337.508 2.033 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](CC)C[C@H]1C)C(C)C ZINC001628521454 1352536402 /nfs/dbraw/zinc/53/64/02/1352536402.db2.gz PCEJJHQAIQIJSC-MSOLQXFVSA-N 2 0 336.524 2.421 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](CC)C[C@@H]1C)C(C)C ZINC001628521457 1352536481 /nfs/dbraw/zinc/53/64/81/1352536481.db2.gz PCEJJHQAIQIJSC-ZWKOTPCHSA-N 2 0 336.524 2.421 10 30 EEEERP C[NH+](C)CCC(=O)NCCC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001663103466 1354914529 /nfs/dbraw/zinc/91/45/29/1354914529.db2.gz BMYWDNJCIVQQOB-HXUWFJFHSA-N 2 0 341.499 2.351 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001664599921 1355198059 /nfs/dbraw/zinc/19/80/59/1355198059.db2.gz WHEIXJWBSIHOSP-OALUTQOASA-N 2 0 327.472 2.331 10 30 EEEERP C#CCC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](CC#C)CC2)CCCC[C@@H]1C ZINC001666069749 1355439827 /nfs/dbraw/zinc/43/98/27/1355439827.db2.gz WHNUUXFOHJHLLG-RXVVDRJESA-N 2 0 343.515 2.010 10 30 EEEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001666291020 1355504098 /nfs/dbraw/zinc/50/40/98/1355504098.db2.gz MASQTNXDDREYLM-ZHALLVOQSA-N 2 0 331.504 2.434 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001668059194 1355858744 /nfs/dbraw/zinc/85/87/44/1355858744.db2.gz BSURSCDBZAHGLE-VQIMIIECSA-N 2 0 342.487 2.415 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CCC2=CCCCC2)CC1 ZINC001669206962 1356124655 /nfs/dbraw/zinc/12/46/55/1356124655.db2.gz IKZYTNLJBHCAEB-VOTSOKGWSA-N 2 0 343.515 2.484 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001669328929 1356145649 /nfs/dbraw/zinc/14/56/49/1356145649.db2.gz UCOCNHOWIBXVDC-QAPCUYQASA-N 2 0 347.890 2.270 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001669443574 1356160774 /nfs/dbraw/zinc/16/07/74/1356160774.db2.gz JNLOVEUDGZTJMQ-OAHLLOKOSA-N 2 0 335.879 2.128 10 30 EEEERP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](CC2CCC2)CC1 ZINC001671491464 1356349257 /nfs/dbraw/zinc/34/92/57/1356349257.db2.gz BUUKSFIVXAKKGI-KRWDZBQOSA-N 2 0 331.504 2.055 10 30 EEEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001671492418 1356349603 /nfs/dbraw/zinc/34/96/03/1356349603.db2.gz YKPPBVMJSBGULB-UHFFFAOYSA-N 2 0 345.531 2.445 10 30 EEEERP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001672348137 1356506357 /nfs/dbraw/zinc/50/63/57/1356506357.db2.gz JEBYADVVHGHZCE-YYIAUSFCSA-N 2 0 325.472 2.212 10 30 EEEERP C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC001675707641 1357041208 /nfs/dbraw/zinc/04/12/08/1357041208.db2.gz LSPIUQYZJHWNNM-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001692128548 1404989258 /nfs/dbraw/zinc/98/92/58/1404989258.db2.gz JCLBTAFQUAOBHR-FQEVSTJZSA-N 2 0 341.499 2.155 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(C#N)s1 ZINC001698917199 1405160272 /nfs/dbraw/zinc/16/02/72/1405160272.db2.gz HLXSOGAMKRRXSN-OAHLLOKOSA-N 2 0 348.516 2.432 10 30 EEEERP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001698952858 1405183948 /nfs/dbraw/zinc/18/39/48/1405183948.db2.gz MHWUIYMVVUJDDG-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001699871741 1405538888 /nfs/dbraw/zinc/53/88/88/1405538888.db2.gz DTLGKEBFFMFEBC-HXUWFJFHSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000921324991 773288840 /nfs/dbraw/zinc/28/88/40/773288840.db2.gz UVZLSKFSRLSODY-UHFFFAOYSA-N 2 0 346.519 2.132 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000921363127 773292019 /nfs/dbraw/zinc/29/20/19/773292019.db2.gz NBUKNVKTRZFWDG-UHFFFAOYSA-N 2 0 348.535 2.141 10 30 EEEERP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941075220 779795227 /nfs/dbraw/zinc/79/52/27/779795227.db2.gz ILASYAMJGUFPKI-ROUUACIJSA-N 2 0 333.520 2.489 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001565941894 1125468491 /nfs/dbraw/zinc/46/84/91/1125468491.db2.gz RNUYHEQDHUWVAO-RTBURBONSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001565972346 1125478135 /nfs/dbraw/zinc/47/81/35/1125478135.db2.gz AGFKYXNYCREKOR-QUCCMNQESA-N 2 0 341.499 2.011 10 30 EEEERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001436965942 1088657024 /nfs/dbraw/zinc/65/70/24/1088657024.db2.gz KOOJQWHRLORSAB-HDICACEKSA-N 2 0 342.487 2.273 10 30 EEEERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001437214492 1089293965 /nfs/dbraw/zinc/29/39/65/1089293965.db2.gz LMWCPMYKFUEAML-WMLDXEAASA-N 2 0 348.516 2.477 10 30 EEEERP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001439244777 1091894602 /nfs/dbraw/zinc/89/46/02/1091894602.db2.gz RRELVKAYNMEOJN-KBPBESRZSA-N 2 0 346.313 2.111 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001439425131 1092192508 /nfs/dbraw/zinc/19/25/08/1092192508.db2.gz UUHWVTDBDHNWTK-RTBURBONSA-N 2 0 342.487 2.275 10 30 EEEERP CC#CC[NH+]1CCC[C@@H]2[C@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)[C@H]21 ZINC001479613832 1098636279 /nfs/dbraw/zinc/63/62/79/1098636279.db2.gz OHZOUBVHQRWMFI-NEWSRXKRSA-N 2 0 333.520 2.347 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccccc1C#N ZINC001479772745 1098945066 /nfs/dbraw/zinc/94/50/66/1098945066.db2.gz WLYACLFANHZRFH-IBGZPJMESA-N 2 0 342.487 2.369 10 30 EEEERP C#CC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCC[C@H]1C ZINC001495325093 1101032182 /nfs/dbraw/zinc/03/21/82/1101032182.db2.gz LMWGBACBNMVHJE-UTKZUKDTSA-N 2 0 345.531 2.396 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cc(F)ccc1C#N ZINC001496640461 1101245052 /nfs/dbraw/zinc/24/50/52/1101245052.db2.gz BKWOBYCQICYCSH-GOSISDBHSA-N 2 0 348.466 2.268 10 30 EEEERP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001495914277 1101757140 /nfs/dbraw/zinc/75/71/40/1101757140.db2.gz DNYDUUZRPKJUER-QGZVFWFLSA-N 2 0 331.504 2.293 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001447872737 1103488155 /nfs/dbraw/zinc/48/81/55/1103488155.db2.gz SGAKZNBBOXFCFN-KGLIPLIRSA-N 2 0 346.450 2.164 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001480682737 1106874852 /nfs/dbraw/zinc/87/48/52/1106874852.db2.gz HNQOHAROIFKNKS-INIZCTEOSA-N 2 0 331.460 2.196 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480708530 1106927715 /nfs/dbraw/zinc/92/77/15/1106927715.db2.gz GXVOIUOMNUEYTJ-HUUCEWRRSA-N 2 0 348.516 2.477 10 30 EEEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001480730827 1106993528 /nfs/dbraw/zinc/99/35/28/1106993528.db2.gz MHDBCMYHEGPNJE-RBUKOAKNSA-N 2 0 331.504 2.340 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1CC ZINC001498888922 1108281760 /nfs/dbraw/zinc/28/17/60/1108281760.db2.gz ILOFPGNVXZMJTQ-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1F ZINC001493569246 1108332221 /nfs/dbraw/zinc/33/22/21/1108332221.db2.gz IYHQDOFIUWGPMD-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001493599676 1108383231 /nfs/dbraw/zinc/38/32/31/1108383231.db2.gz GMKRUFJCVZHSTJ-GOSISDBHSA-N 2 0 347.890 2.224 10 30 EEEERP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001499477500 1112307289 /nfs/dbraw/zinc/30/72/89/1112307289.db2.gz DKSZBHCBNUWHPV-SFHVURJKSA-N 2 0 333.520 2.465 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CCCC1 ZINC001500096332 1112615124 /nfs/dbraw/zinc/61/51/24/1112615124.db2.gz FYLMIXCYYOBFDV-RBUKOAKNSA-N 2 0 333.520 2.395 10 30 EEEERP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001500616608 1112979203 /nfs/dbraw/zinc/97/92/03/1112979203.db2.gz GJBNETQBXONONX-JKSUJKDBSA-N 2 0 343.462 2.368 10 30 EEEERP C[NH+](C)CCCC(=O)N1CCC(C)([NH2+]Cc2ccccc2C#N)CC1 ZINC001502795125 1113802333 /nfs/dbraw/zinc/80/23/33/1113802333.db2.gz AHLVXBMMVXXATF-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001506722355 1114832019 /nfs/dbraw/zinc/83/20/19/1114832019.db2.gz OSKMABXKKVXTBI-HKUYNNGSSA-N 2 0 349.519 2.129 10 30 EEEERP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001507328934 1115195294 /nfs/dbraw/zinc/19/52/94/1115195294.db2.gz YJSVKKKBALNQLV-PKOBYXMFSA-N 2 0 329.488 2.316 10 30 EEEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001507362662 1115222961 /nfs/dbraw/zinc/22/29/61/1115222961.db2.gz IIKUOSLBZXDTIG-OKZBNKHCSA-N 2 0 331.504 2.265 10 30 EEEERP CC#CC[NH2+][C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1ccccc1 ZINC001507390219 1115247161 /nfs/dbraw/zinc/24/71/61/1115247161.db2.gz SWDKLEIYFKBVCV-QUCCMNQESA-N 2 0 341.499 2.059 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C(F)(F)F ZINC001507458772 1115281611 /nfs/dbraw/zinc/28/16/11/1115281611.db2.gz UDTMZBXLCYENRD-GJZGRUSLSA-N 2 0 347.425 2.275 10 30 EEEERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001508064617 1115408569 /nfs/dbraw/zinc/40/85/69/1115408569.db2.gz JAVJYJLKCYLGNI-MRXNPFEDSA-N 2 0 342.487 2.227 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2CC2)C2CCCCC2)CC1 ZINC001568348212 1124430934 /nfs/dbraw/zinc/43/09/34/1124430934.db2.gz BFERFSOHWJZDBE-HXUWFJFHSA-N 2 0 345.531 2.396 10 30 EEEERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cn2)CC1 ZINC000447528609 242285550 /nfs/dbraw/zinc/28/55/50/242285550.db2.gz ICNCIZWDNGOOJU-AEFFLSMTSA-N 2 0 327.476 2.395 10 30 EEEERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000591728893 468511881 /nfs/dbraw/zinc/51/18/81/468511881.db2.gz VCKHTUCCACFLNY-LJQANCHMSA-N 2 0 345.487 2.204 10 30 EEEERP C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261953668 682623075 /nfs/dbraw/zinc/62/30/75/682623075.db2.gz IDWNSMORKDEDNO-UONOGXRCSA-N 2 0 335.496 2.366 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001485688711 1191898288 /nfs/dbraw/zinc/89/82/88/1191898288.db2.gz BURLBTRGBITXAT-WKILWMFISA-N 2 0 339.443 2.332 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(F)c(F)c1 ZINC001266394534 1176468389 /nfs/dbraw/zinc/46/83/89/1176468389.db2.gz SPAXDEQAXWJALO-SFHVURJKSA-N 2 0 349.425 2.001 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001266787003 1177427950 /nfs/dbraw/zinc/42/79/50/1177427950.db2.gz RGAOUTTYZPABBA-RTBURBONSA-N 2 0 345.531 2.493 10 30 EEEERP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001266808026 1177464352 /nfs/dbraw/zinc/46/43/52/1177464352.db2.gz XCHSIWDYICPNFO-PMACEKPBSA-N 2 0 341.499 2.207 10 30 EEEERP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266855998 1177582096 /nfs/dbraw/zinc/58/20/96/1177582096.db2.gz IUMABILXJORZTP-VQIMIIECSA-N 2 0 337.483 2.193 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001266877808 1177687635 /nfs/dbraw/zinc/68/76/35/1177687635.db2.gz GYXSJOBSULFAKH-HXUWFJFHSA-N 2 0 341.499 2.398 10 30 EEEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267093838 1178225979 /nfs/dbraw/zinc/22/59/79/1178225979.db2.gz PBHMBEKNOMONRQ-RBUKOAKNSA-N 2 0 327.472 2.402 10 30 EEEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001267361941 1178839267 /nfs/dbraw/zinc/83/92/67/1178839267.db2.gz LYULVAQXNGJEOY-OALUTQOASA-N 2 0 327.472 2.351 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001271335461 1186146453 /nfs/dbraw/zinc/14/64/53/1186146453.db2.gz VICKCUANOXXTAW-GBESFXJTSA-N 2 0 333.520 2.395 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001271417868 1186203923 /nfs/dbraw/zinc/20/39/23/1186203923.db2.gz TVKLZVVLBAECKR-YLJYHZDGSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001271778798 1186479201 /nfs/dbraw/zinc/47/92/01/1186479201.db2.gz NNCMABLJFCDXBQ-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482888320 1187814989 /nfs/dbraw/zinc/81/49/89/1187814989.db2.gz IUDPFUPAGCRGME-LSDHHAIUSA-N 2 0 346.450 2.024 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001691570534 1188271040 /nfs/dbraw/zinc/27/10/40/1188271040.db2.gz ISOVPQSCTBJEDN-KSZLIROESA-N 2 0 333.520 2.463 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001409427209 1189660627 /nfs/dbraw/zinc/66/06/27/1189660627.db2.gz WMJCQSUXFIIWAT-KGLIPLIRSA-N 2 0 334.439 2.022 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001486135859 1193691628 /nfs/dbraw/zinc/69/16/28/1193691628.db2.gz RJCLNMFWFJRHQG-APWZRJJASA-N 2 0 345.462 2.096 10 30 EEEERP C#CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001483984723 1191142173 /nfs/dbraw/zinc/14/21/73/1191142173.db2.gz WROFIXQAKCYLBI-XLIONFOSSA-N 2 0 345.531 2.301 10 30 EEEERP C#CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1CC[NH+](CC2CC2)CC1 ZINC001483985104 1191142453 /nfs/dbraw/zinc/14/24/53/1191142453.db2.gz KQXJRBQNVQJJQR-SFHVURJKSA-N 2 0 337.483 2.003 10 30 EEEERP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CCCF)CC1 ZINC001483988322 1191143853 /nfs/dbraw/zinc/14/38/53/1191143853.db2.gz XCZNTMMFGUZILJ-UHFFFAOYSA-N 2 0 337.483 2.004 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001484356288 1191316546 /nfs/dbraw/zinc/31/65/46/1191316546.db2.gz BYMKXGXNWWGGST-AZUAARDMSA-N 2 0 341.499 2.205 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001484728310 1191487172 /nfs/dbraw/zinc/48/71/72/1191487172.db2.gz LZXAZHJPYIEZML-LJQANCHMSA-N 2 0 342.487 2.369 10 30 EEEERP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCOCC1 ZINC001484864679 1191555168 /nfs/dbraw/zinc/55/51/68/1191555168.db2.gz KSPXZCJQRHFMJL-ZWKOTPCHSA-N 2 0 349.519 2.225 10 30 EEEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001272692466 1191576736 /nfs/dbraw/zinc/57/67/36/1191576736.db2.gz VGJDTTLMUFKSCK-OXJNMPFZSA-N 2 0 339.483 2.319 10 30 EEEERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001485167106 1191676967 /nfs/dbraw/zinc/67/69/67/1191676967.db2.gz UHFYCJISPUDBDR-JKSUJKDBSA-N 2 0 340.471 2.169 10 30 EEEERP C=C(Cl)CN1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485483846 1191800170 /nfs/dbraw/zinc/80/01/70/1191800170.db2.gz COCMHPNVATYKGU-HOTGVXAUSA-N 2 0 327.900 2.442 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001486254563 1193781735 /nfs/dbraw/zinc/78/17/35/1193781735.db2.gz VFDDHDNRZUIAEC-LSDHHAIUSA-N 2 0 347.425 2.131 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273019245 1194326428 /nfs/dbraw/zinc/32/64/28/1194326428.db2.gz TYHBXOBYEMDAHR-CABCVRRESA-N 2 0 346.450 2.024 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001410844365 1198494250 /nfs/dbraw/zinc/49/42/50/1198494250.db2.gz JDWSPXYKQICAOI-KBXCAEBGSA-N 2 0 346.450 2.117 10 30 EEEERP C=CCC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCCO1 ZINC000883173436 1202025656 /nfs/dbraw/zinc/02/56/56/1202025656.db2.gz KLNQFALJCBAJSP-OALUTQOASA-N 2 0 344.503 2.437 10 30 EEEERP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001275617731 1205446185 /nfs/dbraw/zinc/44/61/85/1205446185.db2.gz UQJGXKRNTMUCBT-VIQWUECVSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)c(F)c1 ZINC000925852526 1206160905 /nfs/dbraw/zinc/16/09/05/1206160905.db2.gz CLZVCTOMLQJMIS-DOMZBBRYSA-N 2 0 331.391 2.033 10 30 EEEERP C#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001273807739 1286203669 /nfs/dbraw/zinc/20/36/69/1286203669.db2.gz PWGSUCBSJMFBOE-FQEVSTJZSA-N 2 0 345.531 2.350 10 30 EEEERP C[N@@H+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490279545 1291107097 /nfs/dbraw/zinc/10/70/97/1291107097.db2.gz JHQZLNXFTKOWBP-KRWDZBQOSA-N 2 0 347.890 2.081 10 30 EEEERP C=CCC[C@H](O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856590549 1293574854 /nfs/dbraw/zinc/57/48/54/1293574854.db2.gz WHSBTSLNYKSLJX-PKOBYXMFSA-N 2 0 333.476 2.314 10 30 EEEERP C=CCC[N@@H+](C)C1CCN(C(=O)c2cnn(-c3ccncc3)c2)CC1 ZINC001277435771 1303003470 /nfs/dbraw/zinc/00/34/70/1303003470.db2.gz VNUGNQVPWSNDHM-UHFFFAOYSA-N 2 0 339.443 2.380 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)C(C)C ZINC001119409065 1309067570 /nfs/dbraw/zinc/06/75/70/1309067570.db2.gz DJGYMQGWZPSLBQ-RCCFBDPRSA-N 2 0 334.508 2.221 10 30 EEEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001278550773 1317216495 /nfs/dbraw/zinc/21/64/95/1317216495.db2.gz ZBQIUOOONIKKCY-QZTJIDSGSA-N 2 0 325.472 2.213 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001278702630 1317794064 /nfs/dbraw/zinc/79/40/64/1317794064.db2.gz AUESPYUASVJFAO-ZIAGYGMSSA-N 2 0 335.414 2.131 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001279012418 1318991742 /nfs/dbraw/zinc/99/17/42/1318991742.db2.gz NBGQMOBTMPGESF-ROUUACIJSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001262970680 1322410647 /nfs/dbraw/zinc/41/06/47/1322410647.db2.gz PLEMRSMANAXJFX-IAGOWNOFSA-N 2 0 346.523 2.194 10 30 EEEERP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001265335938 1323083854 /nfs/dbraw/zinc/08/38/54/1323083854.db2.gz LKVNYGVWQFAQJR-GOSISDBHSA-N 2 0 349.519 2.036 10 30 EEEERP C=CCOCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001279653359 1323970486 /nfs/dbraw/zinc/97/04/86/1323970486.db2.gz AIOYLZABZNUMHK-IBGZPJMESA-N 2 0 349.519 2.200 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001316622497 1325802790 /nfs/dbraw/zinc/80/27/90/1325802790.db2.gz ASPXOZNNELMIGF-MAEOIBBWSA-N 2 0 333.520 2.252 10 30 EEEERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001283630377 1326170920 /nfs/dbraw/zinc/17/09/20/1326170920.db2.gz CTNFIMCKYPTPSZ-APWZRJJASA-N 2 0 345.462 2.098 10 30 EEEERP C#CCC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001284072696 1326393849 /nfs/dbraw/zinc/39/38/49/1326393849.db2.gz UDBSWBLCQZKOKR-AZUAARDMSA-N 2 0 331.504 2.389 10 30 EEEERP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001316671275 1331063787 /nfs/dbraw/zinc/06/37/87/1331063787.db2.gz RAHVKIVVTKKSMM-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CCCC=C)C2)CC1 ZINC001317383760 1332208936 /nfs/dbraw/zinc/20/89/36/1332208936.db2.gz HEFYGWDCQMPPMX-LJQANCHMSA-N 2 0 331.504 2.221 10 30 EEEERP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001318983909 1332632668 /nfs/dbraw/zinc/63/26/68/1332632668.db2.gz PJDQUXZEGBIIBH-KZNAEPCWSA-N 2 0 337.508 2.080 10 30 EEEERP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001319039953 1332640762 /nfs/dbraw/zinc/64/07/62/1332640762.db2.gz RSBPBECDKUJDGF-OALUTQOASA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001319620460 1332729640 /nfs/dbraw/zinc/72/96/40/1332729640.db2.gz OLFWEDIVIWOJJB-INIZCTEOSA-N 2 0 339.443 2.025 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCC)C2CCCCC2)CC1 ZINC001319669319 1332738123 /nfs/dbraw/zinc/73/81/23/1332738123.db2.gz PSCZQIGDYSQZSJ-IBGZPJMESA-N 2 0 333.520 2.396 10 30 EEEERP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001320149675 1332838324 /nfs/dbraw/zinc/83/83/24/1332838324.db2.gz HEHPIDTZXINTSZ-WBVHZDCISA-N 2 0 339.443 2.332 10 30 EEEERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001320464629 1332890428 /nfs/dbraw/zinc/89/04/28/1332890428.db2.gz QJCVILUGRKBJPE-CXAGYDPISA-N 2 0 334.439 2.022 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320733732 1332942314 /nfs/dbraw/zinc/94/23/14/1332942314.db2.gz AQZCSCCCJKSLLM-KRWDZBQOSA-N 2 0 348.516 2.431 10 30 EEEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001324936970 1333791480 /nfs/dbraw/zinc/79/14/80/1333791480.db2.gz QWLWTZNJPRUJRT-RXVVDRJESA-N 2 0 345.531 2.493 10 30 EEEERP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001327173805 1334239835 /nfs/dbraw/zinc/23/98/35/1334239835.db2.gz UGZAOBYQYUPPRL-RBUKOAKNSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309797 1334264236 /nfs/dbraw/zinc/26/42/36/1334264236.db2.gz YCBNNSRIJBCFAW-OALUTQOASA-N 2 0 345.531 2.445 10 30 EEEERP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001328805916 1334525218 /nfs/dbraw/zinc/52/52/18/1334525218.db2.gz GUICNHOCTHESAN-ROUUACIJSA-N 2 0 333.520 2.465 10 30 EEEERP C=CC[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001328914930 1334547062 /nfs/dbraw/zinc/54/70/62/1334547062.db2.gz CHHZPLAPHDODMY-AWRGBYNESA-N 2 0 327.472 2.002 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001332149331 1335744622 /nfs/dbraw/zinc/74/46/22/1335744622.db2.gz UGLTWZFYBOAOLM-IPMKNSEASA-N 2 0 331.504 2.102 10 30 EEEERP C=CC[N@@H+](C)CCN(CC)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001618813026 1352353670 /nfs/dbraw/zinc/35/36/70/1352353670.db2.gz BULCPZNZVIJYBS-QGZVFWFLSA-N 2 0 339.549 2.170 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)CCC[NH+](C)C ZINC001568769810 1342851426 /nfs/dbraw/zinc/85/14/26/1342851426.db2.gz MVROYUCHJFOBSH-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C#CCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001571564711 1343238936 /nfs/dbraw/zinc/23/89/36/1343238936.db2.gz JMAQHTHAFFOGAK-SFHVURJKSA-N 2 0 327.472 2.212 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCCCC)C[C@H]2C)CC1 ZINC001676782456 1357199546 /nfs/dbraw/zinc/19/95/46/1357199546.db2.gz HGUDYGVVNKWRIZ-MJGOQNOKSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)c(F)c1 ZINC001677645387 1357382524 /nfs/dbraw/zinc/38/25/24/1357382524.db2.gz ZXHYBGIHIYKRFX-UHFFFAOYSA-N 2 0 333.451 2.449 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001664392062 1355153117 /nfs/dbraw/zinc/15/31/17/1355153117.db2.gz WYLZZZKFPFYQQX-INIZCTEOSA-N 2 0 345.462 2.280 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001668197894 1355897097 /nfs/dbraw/zinc/89/70/97/1355897097.db2.gz SNPXCLWZVUFDMY-CQSZACIVSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001692128553 1404989363 /nfs/dbraw/zinc/98/93/63/1404989363.db2.gz JCLBTAFQUAOBHR-HXUWFJFHSA-N 2 0 341.499 2.155 10 30 EEEERP C#CC[NH2+]C1(CNC(=O)c2ccccc2CC[NH+](C)C)CCCC1 ZINC001698799752 1405075224 /nfs/dbraw/zinc/07/52/24/1405075224.db2.gz KBNPGFSWLIBSCE-UHFFFAOYSA-N 2 0 327.472 2.056 10 30 EEEERP CC#CC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001698956312 1405188510 /nfs/dbraw/zinc/18/85/10/1405188510.db2.gz SKHOLTDQGNHEHV-QZTJIDSGSA-N 2 0 333.520 2.443 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001699109341 1405265883 /nfs/dbraw/zinc/26/58/83/1405265883.db2.gz IHWOMDXPOZWRCV-KDOFPFPSSA-N 2 0 348.466 2.268 10 30 EEEERP C#CCN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000914075665 794832871 /nfs/dbraw/zinc/83/28/71/794832871.db2.gz ZWMYIDXIYZRFBC-QGZVFWFLSA-N 2 0 348.516 2.090 10 30 EEEERP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001565941892 1125468130 /nfs/dbraw/zinc/46/81/30/1125468130.db2.gz RNUYHEQDHUWVAO-OALUTQOASA-N 2 0 333.520 2.348 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001566012486 1125499582 /nfs/dbraw/zinc/49/95/82/1125499582.db2.gz WMDXEPPARNBNDM-KSZLIROESA-N 2 0 337.508 2.031 10 30 EEEERP C=C(Br)C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001568920303 1124949350 /nfs/dbraw/zinc/94/93/50/1124949350.db2.gz SFEHWPDAMHOMJK-SREVYHEPSA-N 2 0 346.313 2.135 10 30 EEEERP N#Cc1cccc(CN2CCCC[C@@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001437054383 1088947140 /nfs/dbraw/zinc/94/71/40/1088947140.db2.gz YHMCUHMVJZNNCS-LJQANCHMSA-N 2 0 340.471 2.125 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001437311883 1089470468 /nfs/dbraw/zinc/47/04/68/1089470468.db2.gz NEMMUTVRXTZLBJ-HZPDHXFCSA-N 2 0 327.900 2.440 10 30 EEEERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC001448512591 1093538739 /nfs/dbraw/zinc/53/87/39/1093538739.db2.gz AGNPHPAOFZYGJG-ZVZYQTTQSA-N 2 0 346.450 2.022 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001440817526 1094070118 /nfs/dbraw/zinc/07/01/18/1094070118.db2.gz KJNWFQGKPMQNQY-KGLIPLIRSA-N 2 0 334.439 2.022 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001449080298 1094093979 /nfs/dbraw/zinc/09/39/79/1094093979.db2.gz CIBBTWYBNUUPDK-GOSISDBHSA-N 2 0 342.487 2.227 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001441524217 1095225856 /nfs/dbraw/zinc/22/58/56/1095225856.db2.gz OPXBXSZFHXRWTD-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001441903441 1096067140 /nfs/dbraw/zinc/06/71/40/1096067140.db2.gz UESJFFAIJYXGHP-OALUTQOASA-N 2 0 342.487 2.273 10 30 EEEERP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001497500299 1102587611 /nfs/dbraw/zinc/58/76/11/1102587611.db2.gz FEOKJAYJTWKGQI-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001447883352 1103511679 /nfs/dbraw/zinc/51/16/79/1103511679.db2.gz JZVMLHPKZLPPOT-HZPDHXFCSA-N 2 0 342.487 2.415 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001480701698 1106913583 /nfs/dbraw/zinc/91/35/83/1106913583.db2.gz MPHXFSACMJEDFB-UXHICEINSA-N 2 0 341.499 2.201 10 30 EEEERP CC[C@@H](C(=O)N(C)CC[NH2+]CC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001493692773 1108519097 /nfs/dbraw/zinc/51/90/97/1108519097.db2.gz HEHGKYGBBKWGFC-IBGZPJMESA-N 2 0 347.478 2.346 10 30 EEEERP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001479424264 1110694941 /nfs/dbraw/zinc/69/49/41/1110694941.db2.gz GHDYVGYNVZXURD-RBUKOAKNSA-N 2 0 329.488 2.489 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001499527424 1112342968 /nfs/dbraw/zinc/34/29/68/1112342968.db2.gz JQISZBUCUNWIHJ-GOSISDBHSA-N 2 0 331.504 2.197 10 30 EEEERP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001499570770 1112374821 /nfs/dbraw/zinc/37/48/21/1112374821.db2.gz UYQVZXXLPWJECR-MJGOQNOKSA-N 2 0 337.483 2.004 10 30 EEEERP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001500054354 1112594981 /nfs/dbraw/zinc/59/49/81/1112594981.db2.gz NGIMRIUJLVZZMP-DLBZAZTESA-N 2 0 337.483 2.003 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001501153693 1113217272 /nfs/dbraw/zinc/21/72/72/1113217272.db2.gz UCJHWVZMCWNXBP-ICSRJNTNSA-N 2 0 347.547 2.452 10 30 EEEERP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001506924083 1114976785 /nfs/dbraw/zinc/97/67/85/1114976785.db2.gz LOKPRPLWLAYZOJ-SFHVURJKSA-N 2 0 341.499 2.397 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001507011417 1115052761 /nfs/dbraw/zinc/05/27/61/1115052761.db2.gz DDYZEGCTCHYQPB-HOTGVXAUSA-N 2 0 327.900 2.438 10 30 EEEERP C#CCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001507372046 1115230488 /nfs/dbraw/zinc/23/04/88/1115230488.db2.gz DNRMQVHPUWCKNW-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2C[NH2+]CCCC)CC1 ZINC001568435037 1124502975 /nfs/dbraw/zinc/50/29/75/1124502975.db2.gz WEKULXMDIDJSBK-IEBWSBKVSA-N 2 0 333.520 2.348 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568749050 1124763500 /nfs/dbraw/zinc/76/35/00/1124763500.db2.gz BSPLOLOEIVOFCQ-INIZCTEOSA-N 2 0 336.505 2.144 10 30 EEEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001569302732 1125219670 /nfs/dbraw/zinc/21/96/70/1125219670.db2.gz AZSIPQMSYUSNEL-IEBWSBKVSA-N 2 0 331.504 2.149 10 30 EEEERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459022466 285245612 /nfs/dbraw/zinc/24/56/12/285245612.db2.gz YJFBKJUNSDIMFL-OKZBNKHCSA-N 2 0 349.523 2.126 10 30 EEEERP COc1cc(C#N)ccc1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000120904830 463053630 /nfs/dbraw/zinc/05/36/30/463053630.db2.gz ZIVZJDYPXNGWQF-IBGZPJMESA-N 2 0 342.487 2.169 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCNC[C@@](C)(F)C1)C(C)C ZINC000417059527 466767305 /nfs/dbraw/zinc/76/73/05/466767305.db2.gz IOUYSUBXVMPXBE-SJLPKXTDSA-N 2 0 340.487 2.028 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000557038211 468608966 /nfs/dbraw/zinc/60/89/66/468608966.db2.gz DXQUDZIRBHLIIA-UHFFFAOYSA-N 2 0 332.423 2.243 10 30 EEEERP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000600740194 468644322 /nfs/dbraw/zinc/64/43/22/468644322.db2.gz HDBYJMQGNVQCRX-QGZVFWFLSA-N 2 0 343.471 2.304 10 30 EEEERP CCOCCCNC(=[NH2+])NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162457607 682016229 /nfs/dbraw/zinc/01/62/29/682016229.db2.gz RAYWGZLDQNFSIY-LJQANCHMSA-N 2 0 332.492 2.372 10 30 EEEERP CCOCCCNC(=[NH2+])NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162457487 684649469 /nfs/dbraw/zinc/64/94/69/684649469.db2.gz RAYWGZLDQNFSIY-IBGZPJMESA-N 2 0 332.492 2.372 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2CC)CC1 ZINC001772517032 1176567092 /nfs/dbraw/zinc/56/70/92/1176567092.db2.gz GNIFDKYSRPMRAW-QGZVFWFLSA-N 2 0 341.499 2.189 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001266877806 1177687324 /nfs/dbraw/zinc/68/73/24/1177687324.db2.gz GYXSJOBSULFAKH-FQEVSTJZSA-N 2 0 341.499 2.398 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001267070918 1178187186 /nfs/dbraw/zinc/18/71/86/1178187186.db2.gz RASTWFZQSLXBDJ-ROUUACIJSA-N 2 0 331.504 2.124 10 30 EEEERP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267565146 1179371358 /nfs/dbraw/zinc/37/13/58/1179371358.db2.gz JOJFFSXVUJTGHN-QAPCUYQASA-N 2 0 325.472 2.213 10 30 EEEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001267733339 1180327151 /nfs/dbraw/zinc/32/71/51/1180327151.db2.gz LETXBCYQXIMMGR-RTBURBONSA-N 2 0 331.504 2.197 10 30 EEEERP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267791708 1180540637 /nfs/dbraw/zinc/54/06/37/1180540637.db2.gz WNLLXFHNDSZHLV-LPHOPBHVSA-N 2 0 337.483 2.145 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001267913477 1180752502 /nfs/dbraw/zinc/75/25/02/1180752502.db2.gz QIOFWGCEWPAGAG-LJQANCHMSA-N 2 0 333.520 2.350 10 30 EEEERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001267963604 1180858446 /nfs/dbraw/zinc/85/84/46/1180858446.db2.gz QVWYPEHVEYDYKK-MOPGFXCFSA-N 2 0 345.462 2.098 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC001481696857 1182224161 /nfs/dbraw/zinc/22/41/61/1182224161.db2.gz DSZKXSKWTHHSCO-SFHVURJKSA-N 2 0 347.890 2.222 10 30 EEEERP CC[C@H](CNC(=O)C[C@H](C)n1ccnc1)[NH2+]CC#Cc1ccccc1 ZINC001269477169 1184300598 /nfs/dbraw/zinc/30/05/98/1184300598.db2.gz KVAYYNHJTKDTIC-PKOBYXMFSA-N 2 0 338.455 2.370 10 30 EEEERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001270371237 1185053893 /nfs/dbraw/zinc/05/38/93/1185053893.db2.gz FMMLQJWRRDRZNM-QAPCUYQASA-N 2 0 347.890 2.128 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccc1)CC(C)C ZINC001482386412 1185580532 /nfs/dbraw/zinc/58/05/32/1185580532.db2.gz HCEWCUILYFUFSL-UXHICEINSA-N 2 0 341.499 2.405 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001271436767 1186220687 /nfs/dbraw/zinc/22/06/87/1186220687.db2.gz NYUMOGVKBMUVSY-VQIMIIECSA-N 2 0 327.472 2.212 10 30 EEEERP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001271715850 1186389774 /nfs/dbraw/zinc/38/97/74/1186389774.db2.gz QDRPZAZIQFTMQV-HNAYVOBHSA-N 2 0 338.455 2.496 10 30 EEEERP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001271772783 1186474704 /nfs/dbraw/zinc/47/47/04/1186474704.db2.gz VKSAXFZWCQVNCB-IBGZPJMESA-N 2 0 333.520 2.443 10 30 EEEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001485828112 1193479548 /nfs/dbraw/zinc/47/95/48/1193479548.db2.gz UMGWDPMGMFRXEG-MAUKXSAKSA-N 2 0 325.472 2.212 10 30 EEEERP C=C(Br)C[NH2+]CCN(CC)C(=O)C[NH+]1CCC(C)CC1 ZINC001482957823 1187885350 /nfs/dbraw/zinc/88/53/50/1187885350.db2.gz HKTKFJYNGOZZCJ-UHFFFAOYSA-N 2 0 346.313 2.065 10 30 EEEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001483081288 1188442726 /nfs/dbraw/zinc/44/27/26/1188442726.db2.gz XRRIBAPTDDFBLR-NSCUHMNNSA-N 2 0 325.884 2.123 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483157158 1188964491 /nfs/dbraw/zinc/96/44/91/1188964491.db2.gz YYGDSSNCTJKYBM-CYBMUJFWSA-N 2 0 334.489 2.088 10 30 EEEERP C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001409477310 1189811070 /nfs/dbraw/zinc/81/10/70/1189811070.db2.gz SPSLSTBDXJLDEY-IRXDYDNUSA-N 2 0 342.487 2.417 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001483296640 1190323936 /nfs/dbraw/zinc/32/39/36/1190323936.db2.gz MOMPQLPLUNRTLD-HNNXBMFYSA-N 2 0 335.879 2.126 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001483793300 1191032888 /nfs/dbraw/zinc/03/28/88/1191032888.db2.gz ANHTYDXJAKUZRW-HZPDHXFCSA-N 2 0 340.471 2.169 10 30 EEEERP C#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1CC ZINC001484323524 1191304923 /nfs/dbraw/zinc/30/49/23/1191304923.db2.gz GPOATSXJJSNYPZ-XUVXKRRUSA-N 2 0 341.499 2.359 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001484396321 1191330023 /nfs/dbraw/zinc/33/00/23/1191330023.db2.gz YFSUGGPTYCGAAY-VJANTYMQSA-N 2 0 333.520 2.252 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CCO1 ZINC001484693182 1191469050 /nfs/dbraw/zinc/46/90/50/1191469050.db2.gz DEJWUPMLVVTNLI-OALUTQOASA-N 2 0 345.487 2.073 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001486251790 1193779076 /nfs/dbraw/zinc/77/90/76/1193779076.db2.gz AEGBYRIOCCVUJC-UONOGXRCSA-N 2 0 335.414 2.131 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001410330401 1197713191 /nfs/dbraw/zinc/71/31/91/1197713191.db2.gz PSQFZVIDUOJJEU-QGZVFWFLSA-N 2 0 348.516 2.287 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001273412806 1198671463 /nfs/dbraw/zinc/67/14/63/1198671463.db2.gz KMFJVJHXDJHRPM-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)CC#Cc1ccccc1Cl ZINC001490280920 1291107995 /nfs/dbraw/zinc/10/79/95/1291107995.db2.gz APICOADANFKSRR-UHFFFAOYSA-N 2 0 349.906 2.470 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001490302431 1291136965 /nfs/dbraw/zinc/13/69/65/1291136965.db2.gz ICHYTPVWJLGKCC-GJZGRUSLSA-N 2 0 325.884 2.194 10 30 EEEERP C=CCCCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001276813589 1298410789 /nfs/dbraw/zinc/41/07/89/1298410789.db2.gz PJIBJKMVCLTTSN-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001491171154 1299651521 /nfs/dbraw/zinc/65/15/21/1299651521.db2.gz YZHACBGYHLVONH-IEBWSBKVSA-N 2 0 331.504 2.245 10 30 EEEERP C=CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001264189603 1322656134 /nfs/dbraw/zinc/65/61/34/1322656134.db2.gz CBRXSDNJYWMLGL-UHFFFAOYSA-N 2 0 336.505 2.035 10 30 EEEERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001265503567 1323186438 /nfs/dbraw/zinc/18/64/38/1323186438.db2.gz YSSPFXVUSFTOIH-WGSAOQKQSA-N 2 0 345.462 2.146 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CCCCC)C2)CC1 ZINC001280309163 1324153289 /nfs/dbraw/zinc/15/32/89/1324153289.db2.gz YWKXBGXUHJDHFW-GOSISDBHSA-N 2 0 333.520 2.350 10 30 EEEERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001276610797 1324776968 /nfs/dbraw/zinc/77/69/68/1324776968.db2.gz DVYNHGHYPOTCCP-WOJBJXKFSA-N 2 0 339.483 2.007 10 30 EEEERP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283178517 1325945902 /nfs/dbraw/zinc/94/59/02/1325945902.db2.gz RPNYWCPWTHUGHK-GPMSIDNRSA-N 2 0 342.487 2.273 10 30 EEEERP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001284148077 1326435094 /nfs/dbraw/zinc/43/50/94/1326435094.db2.gz DWQCCFVCOKAYSY-MOPGFXCFSA-N 2 0 329.488 2.364 10 30 EEEERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1cccc(C#N)c1 ZINC001316892310 1331958099 /nfs/dbraw/zinc/95/80/99/1331958099.db2.gz FQQZCBUOYNWFDU-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001317794518 1332411829 /nfs/dbraw/zinc/41/18/29/1332411829.db2.gz CWZODNKLQCJJSN-GOSISDBHSA-N 2 0 341.499 2.256 10 30 EEEERP CC#CC[N@H+](C)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001317877124 1332439072 /nfs/dbraw/zinc/43/90/72/1332439072.db2.gz SJVIJUCTDJTWLG-UHFFFAOYSA-N 2 0 331.504 2.056 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001318437634 1332533844 /nfs/dbraw/zinc/53/38/44/1332533844.db2.gz RWRWAFCBCBXLRE-IBGZPJMESA-N 2 0 345.487 2.097 10 30 EEEERP C=CC[NH2+]C[C@](C)(NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001318712729 1332582277 /nfs/dbraw/zinc/58/22/77/1332582277.db2.gz IUWQPVPTABAUCR-ROUUACIJSA-N 2 0 325.472 2.259 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)Cc2csc(C)c2)CC1 ZINC001322306343 1333244560 /nfs/dbraw/zinc/24/45/60/1333244560.db2.gz KATIMQRLZPBXSS-HNNXBMFYSA-N 2 0 347.528 2.338 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC)[C@@H](CC)C2)CC1 ZINC001323166463 1333401932 /nfs/dbraw/zinc/40/19/32/1333401932.db2.gz CDCDYSXCEDECNE-PKOBYXMFSA-N 2 0 333.520 2.348 10 30 EEEERP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001328686359 1334499356 /nfs/dbraw/zinc/49/93/56/1334499356.db2.gz HRFRYKIESNGURN-RCCFBDPRSA-N 2 0 333.451 2.224 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]C/C=C\Cl)C(C)C ZINC001329741651 1334705994 /nfs/dbraw/zinc/70/59/94/1334705994.db2.gz JDOHTUDWUNQTLZ-CJWPDFJNSA-N 2 0 339.911 2.299 10 30 EEEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001331283261 1334990421 /nfs/dbraw/zinc/99/04/21/1334990421.db2.gz OYMPBCXVKILMHP-UYAOXDASSA-N 2 0 345.531 2.491 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC#Cc2ccccc2)CC[N@@H+]1C ZINC001331456188 1335016867 /nfs/dbraw/zinc/01/68/67/1335016867.db2.gz SJJMVWKPGRNNCF-YSIASYRMSA-N 2 0 341.499 2.205 10 30 EEEERP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001566879546 1342646740 /nfs/dbraw/zinc/64/67/40/1342646740.db2.gz OQDDKEPRIGTTDH-PMACEKPBSA-N 2 0 341.499 2.207 10 30 EEEERP C=CCOCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001566955066 1342659374 /nfs/dbraw/zinc/65/93/74/1342659374.db2.gz HQPASNQFCVVPFS-OALUTQOASA-N 2 0 349.519 2.130 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001571490534 1343218540 /nfs/dbraw/zinc/21/85/40/1343218540.db2.gz FSTGULUAMBKIEN-APWZRJJASA-N 2 0 345.462 2.098 10 30 EEEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001649461114 1353517834 /nfs/dbraw/zinc/51/78/34/1353517834.db2.gz DBKGMACLRHKLMJ-MJGOQNOKSA-N 2 0 329.488 2.174 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661752505 1354689592 /nfs/dbraw/zinc/68/95/92/1354689592.db2.gz KREUQOJJVRXSPJ-OALUTQOASA-N 2 0 333.520 2.348 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001664008580 1355072585 /nfs/dbraw/zinc/07/25/85/1355072585.db2.gz IXGXLGNXSOLKKT-UHFFFAOYSA-N 2 0 346.500 2.044 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cc(C)ccc2F)CC1 ZINC001664392069 1355152853 /nfs/dbraw/zinc/15/28/53/1355152853.db2.gz XEOMORDLZKFYIT-UHFFFAOYSA-N 2 0 345.462 2.027 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001671337286 1356329923 /nfs/dbraw/zinc/32/99/23/1356329923.db2.gz FLZFXSFEMAHSNN-RTBURBONSA-N 2 0 331.504 2.387 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]C[C@@H](C)CC)C2)CC1 ZINC001672915241 1356614247 /nfs/dbraw/zinc/61/42/47/1356614247.db2.gz GRZWHCCIOPKHNK-ZWKOTPCHSA-N 2 0 333.520 2.206 10 30 EEEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001674343370 1356821633 /nfs/dbraw/zinc/82/16/33/1356821633.db2.gz TYTZGGCGRSCHOJ-IBGZPJMESA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001699767791 1405476739 /nfs/dbraw/zinc/47/67/39/1405476739.db2.gz XCKSMFOHOJDFAC-FQEVSTJZSA-N 2 0 345.531 2.493 10 30 EEEERP CCCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001699771873 1405479100 /nfs/dbraw/zinc/47/91/00/1405479100.db2.gz PIXVSZFUKAMPHK-KRWDZBQOSA-N 2 0 339.524 2.258 10 30 EEEERP C#CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780389 779301779 /nfs/dbraw/zinc/30/17/79/779301779.db2.gz PTOJQTAXQUGIEI-HNNXBMFYSA-N 2 0 333.501 2.273 10 30 EEEERP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800518 779305356 /nfs/dbraw/zinc/30/53/56/779305356.db2.gz BMBSZHZIWDBWOW-ZWKOTPCHSA-N 2 0 331.504 2.243 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001437338254 1089530579 /nfs/dbraw/zinc/53/05/79/1089530579.db2.gz WBLCVXITORFWAX-ZWKOTPCHSA-N 2 0 328.460 2.027 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001438440852 1090942994 /nfs/dbraw/zinc/94/29/94/1090942994.db2.gz LNFXHZFIULJIMY-IYARVYRRSA-N 2 0 328.460 2.027 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001445400479 1091147597 /nfs/dbraw/zinc/14/75/97/1091147597.db2.gz ZVWYCRCOWHMWDB-CQSZACIVSA-N 2 0 346.500 2.090 10 30 EEEERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2C#N)C1 ZINC001439240721 1091888043 /nfs/dbraw/zinc/88/80/43/1091888043.db2.gz BHZCUZOJUSOWIZ-QFBILLFUSA-N 2 0 342.487 2.275 10 30 EEEERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001439509752 1092351875 /nfs/dbraw/zinc/35/18/75/1092351875.db2.gz GAXQFBUWOVXYQL-RTBURBONSA-N 2 0 342.487 2.227 10 30 EEEERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)Cc1cccc(C#N)c1 ZINC001440956762 1094211571 /nfs/dbraw/zinc/21/15/71/1094211571.db2.gz FCJRWTZVXFFIDK-FCEWJHQRSA-N 2 0 342.487 2.225 10 30 EEEERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001441543168 1095262975 /nfs/dbraw/zinc/26/29/75/1095262975.db2.gz FEYCEKCOHCTVQC-RDTXWAMCSA-N 2 0 346.450 2.118 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001441878031 1095999969 /nfs/dbraw/zinc/99/99/69/1095999969.db2.gz RONWNSHMKUYVCN-UYAOXDASSA-N 2 0 340.471 2.123 10 30 EEEERP CC(C)[C@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001442623713 1096992548 /nfs/dbraw/zinc/99/25/48/1096992548.db2.gz YLIIWGWZRYHMKJ-LJQANCHMSA-N 2 0 342.487 2.227 10 30 EEEERP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001479794883 1099008173 /nfs/dbraw/zinc/00/81/73/1099008173.db2.gz YUEABKUJOICUEN-GOSISDBHSA-N 2 0 330.476 2.083 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001479972484 1099420275 /nfs/dbraw/zinc/42/02/75/1099420275.db2.gz UOBPRCDDSSFWCT-GOSISDBHSA-N 2 0 333.520 2.348 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001497184519 1102088671 /nfs/dbraw/zinc/08/86/71/1102088671.db2.gz AHZWKIYANHJAPW-QUCCMNQESA-N 2 0 341.499 2.395 10 30 EEEERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001447937748 1103643080 /nfs/dbraw/zinc/64/30/80/1103643080.db2.gz WDZZJTJOGRHAOO-DLBZAZTESA-N 2 0 342.487 2.417 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480597327 1106735024 /nfs/dbraw/zinc/73/50/24/1106735024.db2.gz OXRIAXGVSGPDPN-LPHOPBHVSA-N 2 0 345.462 2.146 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC(=C)C)CC1 ZINC001498502076 1107644344 /nfs/dbraw/zinc/64/43/44/1107644344.db2.gz FJKQZVVLIZADIU-OALUTQOASA-N 2 0 331.504 2.172 10 30 EEEERP CN(CCC[NH2+]Cc1ccccc1C#N)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001498560394 1107722486 /nfs/dbraw/zinc/72/24/86/1107722486.db2.gz QLBLFMLXWVWJAE-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1CC ZINC001498901560 1108298934 /nfs/dbraw/zinc/29/89/34/1108298934.db2.gz GMYHPWNGTBPOGJ-HKUYNNGSSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001501394714 1113340432 /nfs/dbraw/zinc/34/04/32/1113340432.db2.gz JJEOYWZYCPAPGI-QZTJIDSGSA-N 2 0 331.504 2.197 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001501651278 1113416121 /nfs/dbraw/zinc/41/61/21/1113416121.db2.gz NDRASQMKLDFLOG-MOPGFXCFSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)CC2CC(C)C2)CC1 ZINC001502400857 1113666784 /nfs/dbraw/zinc/66/67/84/1113666784.db2.gz BJAUAINKYJRIDW-UHFFFAOYSA-N 2 0 333.520 2.158 10 30 EEEERP C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001505404804 1113941027 /nfs/dbraw/zinc/94/10/27/1113941027.db2.gz OWRJKRLSGFSXSR-ZWKOTPCHSA-N 2 0 337.508 2.033 10 30 EEEERP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001506938240 1114987767 /nfs/dbraw/zinc/98/77/67/1114987767.db2.gz NXVDMPLGIDNUHV-RBUKOAKNSA-N 2 0 341.499 2.254 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001507360178 1115221452 /nfs/dbraw/zinc/22/14/52/1115221452.db2.gz GELBRVGTXOXZKG-OWCLPIDISA-N 2 0 327.900 2.297 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CCC(=C)C)CCCC2)CC1 ZINC001568011163 1124229297 /nfs/dbraw/zinc/22/92/97/1124229297.db2.gz DBDLPXHBCTZOSZ-UHFFFAOYSA-N 2 0 331.504 2.316 10 30 EEEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001568105409 1124305016 /nfs/dbraw/zinc/30/50/16/1124305016.db2.gz KGOYQDGJURGJRN-WKILWMFISA-N 2 0 333.501 2.464 10 30 EEEERP C#CCOc1ccccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121134728 463085647 /nfs/dbraw/zinc/08/56/47/463085647.db2.gz HILSVSPDQPBXHH-KRWDZBQOSA-N 2 0 330.472 2.223 10 30 EEEERP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594437827 468587280 /nfs/dbraw/zinc/58/72/80/468587280.db2.gz FRJZLYNTENJTQW-MRXNPFEDSA-N 2 0 343.475 2.178 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001671503901 1176859902 /nfs/dbraw/zinc/85/99/02/1176859902.db2.gz GTEHTMWMCDDAOU-MJRGOJFPSA-N 2 0 331.504 2.221 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CCC(=C)C)C2)CC1 ZINC001266822573 1177492606 /nfs/dbraw/zinc/49/26/06/1177492606.db2.gz AZCZGWSRNZUXAL-GOSISDBHSA-N 2 0 331.504 2.126 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH2+]CC2CC2)CC1 ZINC001691309442 1177880187 /nfs/dbraw/zinc/88/01/87/1177880187.db2.gz QJPROZOMYCEDGU-PXNSSMCTSA-N 2 0 345.531 2.348 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001691373626 1177979422 /nfs/dbraw/zinc/97/94/22/1177979422.db2.gz BZFJTSKHRDJRNC-LJQANCHMSA-N 2 0 342.487 2.227 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267093839 1178225868 /nfs/dbraw/zinc/22/58/68/1178225868.db2.gz PBHMBEKNOMONRQ-RTBURBONSA-N 2 0 327.472 2.402 10 30 EEEERP C=CC[NH2+]CCc1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001267098097 1178234892 /nfs/dbraw/zinc/23/48/92/1178234892.db2.gz DOTJTXGYRQSSJG-IAGOWNOFSA-N 2 0 329.488 2.494 10 30 EEEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001267196931 1178475546 /nfs/dbraw/zinc/47/55/46/1178475546.db2.gz ODBWNRDFMNCGAT-MJGOQNOKSA-N 2 0 333.520 2.348 10 30 EEEERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001268094979 1181734612 /nfs/dbraw/zinc/73/46/12/1181734612.db2.gz QUQPNQCTZPPOHW-MAUKXSAKSA-N 2 0 349.906 2.468 10 30 EEEERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001481824204 1182744373 /nfs/dbraw/zinc/74/43/73/1182744373.db2.gz QMBXVUVFDJLEGV-OALUTQOASA-N 2 0 327.472 2.007 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001268798012 1183714337 /nfs/dbraw/zinc/71/43/37/1183714337.db2.gz AMUSFNKGGPPEJM-IBGZPJMESA-N 2 0 347.478 2.202 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001270051543 1184814540 /nfs/dbraw/zinc/81/45/40/1184814540.db2.gz YARZLBPEOSQNAK-PKOBYXMFSA-N 2 0 331.504 2.245 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001271021418 1185821188 /nfs/dbraw/zinc/82/11/88/1185821188.db2.gz MLMDYPORZYTEMV-GOSISDBHSA-N 2 0 339.483 2.103 10 30 EEEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001271508661 1186277629 /nfs/dbraw/zinc/27/76/29/1186277629.db2.gz NJKZUYHRHZXRGZ-HOTGVXAUSA-N 2 0 339.443 2.284 10 30 EEEERP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001271715855 1186389725 /nfs/dbraw/zinc/38/97/25/1186389725.db2.gz QDRPZAZIQFTMQV-KXBFYZLASA-N 2 0 338.455 2.496 10 30 EEEERP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001482504479 1186415010 /nfs/dbraw/zinc/41/50/10/1186415010.db2.gz LYUHDNIFULSQPY-IBGZPJMESA-N 2 0 333.520 2.465 10 30 EEEERP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482842105 1187761366 /nfs/dbraw/zinc/76/13/66/1187761366.db2.gz UXWZTULEPSYDAH-VQIMIIECSA-N 2 0 342.487 2.417 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482929830 1187850755 /nfs/dbraw/zinc/85/07/55/1187850755.db2.gz LOPPBOMSKKADMX-FQEVSTJZSA-N 2 0 341.499 2.351 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC/C=C/CC)C2)CC1 ZINC001691541498 1187945339 /nfs/dbraw/zinc/94/53/39/1187945339.db2.gz YTYCDYALGMDLIM-ZQZRUVGRSA-N 2 0 331.504 2.172 10 30 EEEERP C=C(Br)C[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001733147036 1190734482 /nfs/dbraw/zinc/73/44/82/1190734482.db2.gz XSINJCFNANTHMU-UHFFFAOYSA-N 2 0 346.313 2.209 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001272321175 1190760143 /nfs/dbraw/zinc/76/01/43/1190760143.db2.gz FVEHBSFYYZIIJI-MOPGFXCFSA-N 2 0 331.504 2.006 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484344304 1191312279 /nfs/dbraw/zinc/31/22/79/1191312279.db2.gz UUTICFSVZKYNSS-HUUCEWRRSA-N 2 0 327.900 2.440 10 30 EEEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001484922074 1191576347 /nfs/dbraw/zinc/57/63/47/1191576347.db2.gz HRYUBPGHFJNOQK-GJZGRUSLSA-N 2 0 327.900 2.440 10 30 EEEERP C=CCOCC[NH2+]CC1CC(NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001485097775 1191654506 /nfs/dbraw/zinc/65/45/06/1191654506.db2.gz OZYKVZIFKKOPDU-UHFFFAOYSA-N 2 0 331.460 2.307 10 30 EEEERP C#CC[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000886355872 1202496117 /nfs/dbraw/zinc/49/61/17/1202496117.db2.gz OWHXNJYNVFKGAU-IBGZPJMESA-N 2 0 339.483 2.244 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001275129648 1205263983 /nfs/dbraw/zinc/26/39/83/1205263983.db2.gz ZWLAKQGJWCZEIH-IBGZPJMESA-N 2 0 341.499 2.350 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001275479935 1205378557 /nfs/dbraw/zinc/37/85/57/1205378557.db2.gz DONLAYPRUSGINX-CABCVRRESA-N 2 0 335.879 2.126 10 30 EEEERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)cc1F ZINC000925860033 1206162491 /nfs/dbraw/zinc/16/24/91/1206162491.db2.gz YVIBYUWQOBRDHC-GXTWGEPZSA-N 2 0 331.391 2.033 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000900158555 1234054482 /nfs/dbraw/zinc/05/44/82/1234054482.db2.gz QONDNHKLBSQUAG-IBGZPJMESA-N 2 0 329.488 2.447 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000900271732 1234139813 /nfs/dbraw/zinc/13/98/13/1234139813.db2.gz FRNFUKDVRADEGF-UHFFFAOYSA-N 2 0 333.451 2.414 10 30 EEEERP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001273823956 1286464932 /nfs/dbraw/zinc/46/49/32/1286464932.db2.gz FWVQTKXNKCHAFE-IBGZPJMESA-N 2 0 329.488 2.447 10 30 EEEERP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001488760457 1290179098 /nfs/dbraw/zinc/17/90/98/1290179098.db2.gz ABPWTAKCTFNVPQ-ZIFCJYIRSA-N 2 0 331.504 2.291 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001491160797 1299643027 /nfs/dbraw/zinc/64/30/27/1299643027.db2.gz MALQCOPKTHUGAE-INIZCTEOSA-N 2 0 339.911 2.443 10 30 EEEERP C[C@@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[NH+]1CCCC1 ZINC001277356650 1302618774 /nfs/dbraw/zinc/61/87/74/1302618774.db2.gz VSSONNPGDSRMAH-KRWDZBQOSA-N 2 0 345.462 2.148 10 30 EEEERP C=CCOCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001277786209 1304484516 /nfs/dbraw/zinc/48/45/16/1304484516.db2.gz UTMQZSYVUBXGSI-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH2+]CC=C)CC1 ZINC001264521324 1322724922 /nfs/dbraw/zinc/72/49/22/1322724922.db2.gz YAJCYWRXMSZQDK-MJGOQNOKSA-N 2 0 331.504 2.124 10 30 EEEERP C#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001264586120 1322740043 /nfs/dbraw/zinc/74/00/43/1322740043.db2.gz LLGLLECBTQUGKY-NXHRZFHOSA-N 2 0 333.520 2.203 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001280198176 1324110765 /nfs/dbraw/zinc/11/07/65/1324110765.db2.gz OFTDBXXJTXOWML-LPHOPBHVSA-N 2 0 337.483 2.050 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC#Cc2ccccc2)CC1 ZINC001280371678 1324181590 /nfs/dbraw/zinc/18/15/90/1324181590.db2.gz FMZWXVLJRKTQKB-MXVIHJGJSA-N 2 0 341.499 2.254 10 30 EEEERP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001282884138 1325821853 /nfs/dbraw/zinc/82/18/53/1325821853.db2.gz AGBFOYIOOIRKFI-OKYOBFRVSA-N 2 0 333.520 2.367 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001316727581 1331844485 /nfs/dbraw/zinc/84/44/85/1331844485.db2.gz NJHPAJKIIOTZNP-LSDHHAIUSA-N 2 0 347.425 2.275 10 30 EEEERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1)[NH+](C)C ZINC001317079197 1332071977 /nfs/dbraw/zinc/07/19/77/1332071977.db2.gz GHIWFVVRUHRBQJ-KZNAEPCWSA-N 2 0 347.890 2.269 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001317161384 1332106192 /nfs/dbraw/zinc/10/61/92/1332106192.db2.gz HNPTVFCJWRHRJJ-FQEVSTJZSA-N 2 0 341.499 2.208 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001317346758 1332188774 /nfs/dbraw/zinc/18/87/74/1332188774.db2.gz YJJDSRSFELNCNC-IBGZPJMESA-N 2 0 345.531 2.350 10 30 EEEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001317682631 1332370210 /nfs/dbraw/zinc/37/02/10/1332370210.db2.gz MQEFXSPLRVQXTP-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001318805943 1332601763 /nfs/dbraw/zinc/60/17/63/1332601763.db2.gz TYFRRHCDSBJBDC-DOTOQJQBSA-N 2 0 339.911 2.299 10 30 EEEERP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001319145297 1332657056 /nfs/dbraw/zinc/65/70/56/1332657056.db2.gz OVFQZQZFRKJOHH-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[NH+]1CC2(C1)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)CC2 ZINC001319402156 1332695260 /nfs/dbraw/zinc/69/52/60/1332695260.db2.gz FRRNAIMONFZZMY-UHFFFAOYSA-N 2 0 345.531 2.446 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001321188459 1333040431 /nfs/dbraw/zinc/04/04/31/1333040431.db2.gz HPSHDJKQYNRRTM-LHRDXKRPSA-N 2 0 345.874 2.048 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001323114342 1333388472 /nfs/dbraw/zinc/38/84/72/1333388472.db2.gz QQHFPVFVBXWACY-FQEVSTJZSA-N 2 0 343.515 2.316 10 30 EEEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001325707942 1333944780 /nfs/dbraw/zinc/94/47/80/1333944780.db2.gz HMZIAIQRVYOXKD-LJQANCHMSA-N 2 0 327.472 2.112 10 30 EEEERP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC001326890796 1334177621 /nfs/dbraw/zinc/17/76/21/1334177621.db2.gz SHMTUFFPCFXJGQ-MSOLQXFVSA-N 2 0 327.472 2.146 10 30 EEEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001327082939 1334218512 /nfs/dbraw/zinc/21/85/12/1334218512.db2.gz YLFNONUPACFOHX-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001327082930 1334218680 /nfs/dbraw/zinc/21/86/80/1334218680.db2.gz YDYZYAPKCMSPBV-LJQANCHMSA-N 2 0 345.487 2.145 10 30 EEEERP C=CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001330300980 1334820377 /nfs/dbraw/zinc/82/03/77/1334820377.db2.gz YLEPZIQEKXTPLI-WTGUMLROSA-N 2 0 345.531 2.369 10 30 EEEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001331362685 1335002487 /nfs/dbraw/zinc/00/24/87/1335002487.db2.gz URCCJBSSHKJDKL-IBGZPJMESA-N 2 0 327.472 2.212 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC(C)C)[C@H]2C)CC1 ZINC001331942548 1335683029 /nfs/dbraw/zinc/68/30/29/1335683029.db2.gz CKYHAWHOYJEYGD-IEBWSBKVSA-N 2 0 333.520 2.347 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001332459368 1335828596 /nfs/dbraw/zinc/82/85/96/1335828596.db2.gz LGESESIXEORSNQ-HUUCEWRRSA-N 2 0 347.425 2.131 10 30 EEEERP C=CCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F ZINC001333022924 1335949703 /nfs/dbraw/zinc/94/97/03/1335949703.db2.gz XDKZWCFLHGXQSE-GJZGRUSLSA-N 2 0 347.425 2.273 10 30 EEEERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001565854941 1342570148 /nfs/dbraw/zinc/57/01/48/1342570148.db2.gz WQTMHHANGGVBDM-IZAXUBKRSA-N 2 0 345.462 2.003 10 30 EEEERP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001566967921 1342668063 /nfs/dbraw/zinc/66/80/63/1342668063.db2.gz YUMBSTWVTZORIH-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567740978 1342830173 /nfs/dbraw/zinc/83/01/73/1342830173.db2.gz AMOAIIQHDIRHRF-SFHVURJKSA-N 2 0 333.520 2.465 10 30 EEEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001570366042 1343062196 /nfs/dbraw/zinc/06/21/96/1343062196.db2.gz ONFNISGJZPKCKK-HOCLYGCPSA-N 2 0 327.900 2.442 10 30 EEEERP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001570973079 1343144543 /nfs/dbraw/zinc/14/45/43/1343144543.db2.gz KQVGQTXFYXIJRL-SJORKVTESA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH2+]CCC[C@H](NC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001571346790 1343192551 /nfs/dbraw/zinc/19/25/51/1343192551.db2.gz DYTDYYZYAKZJRF-IBGZPJMESA-N 2 0 339.483 2.475 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]21 ZINC001676845667 1357218892 /nfs/dbraw/zinc/21/88/92/1357218892.db2.gz MBHZRIHKKPTKDH-RCCFBDPRSA-N 2 0 333.520 2.204 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2CCC)c(F)c1 ZINC001677643254 1357382084 /nfs/dbraw/zinc/38/20/84/1357382084.db2.gz MMKZICFQHGWBOC-GOSISDBHSA-N 2 0 331.435 2.039 10 30 EEEERP C#CCC[C@H](O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC001651499738 1354054961 /nfs/dbraw/zinc/05/49/61/1354054961.db2.gz LNFQPVWDZCXLDE-IBGZPJMESA-N 2 0 329.488 2.081 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001660464731 1354468654 /nfs/dbraw/zinc/46/86/54/1354468654.db2.gz LNAOSERSBOHPIJ-PXNSSMCTSA-N 2 0 345.531 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]C/C=C/Cl)CC1 ZINC001661972084 1354730486 /nfs/dbraw/zinc/73/04/86/1354730486.db2.gz NVYAMGKGMZVXDV-MPNRVQBSSA-N 2 0 337.895 2.055 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CC2CC3(CCC3)C2)CC1 ZINC001663461248 1354965069 /nfs/dbraw/zinc/96/50/69/1354965069.db2.gz IECNIZGFLCVCFW-UHFFFAOYSA-N 2 0 345.531 2.350 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H]([N@@H+](C)CC)C1)C(C)C ZINC001665702006 1355364888 /nfs/dbraw/zinc/36/48/88/1355364888.db2.gz ULYOFMJEHLLNNZ-MSOLQXFVSA-N 2 0 336.524 2.421 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C)CC1 ZINC001666672354 1355563606 /nfs/dbraw/zinc/56/36/06/1355563606.db2.gz FAARZIIEGQDWLK-QGZVFWFLSA-N 2 0 335.536 2.500 10 30 EEEERP N#Cc1ccc(C[NH2+]C/C=C\CNC(=O)C23CCC[NH+]2CCC3)s1 ZINC001668912982 1356043331 /nfs/dbraw/zinc/04/33/31/1356043331.db2.gz XRYJOWQMYADNSO-UPHRSURJSA-N 2 0 344.484 2.010 10 30 EEEERP C=C(Br)C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668973133 1356058065 /nfs/dbraw/zinc/05/80/65/1356058065.db2.gz KXFSGBOFPJZLCC-SNAWJCMRSA-N 2 0 344.297 2.031 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001672816196 1356591079 /nfs/dbraw/zinc/59/10/79/1356591079.db2.gz NNQXRVOSWMGAJJ-KRWDZBQOSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001672925062 1356616192 /nfs/dbraw/zinc/61/61/92/1356616192.db2.gz OVMLOLZAWSTZKL-LJQANCHMSA-N 2 0 327.472 2.242 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001691898140 1356921414 /nfs/dbraw/zinc/92/14/14/1356921414.db2.gz JSSUNLVQUOOZOI-QGZVFWFLSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001692121016 1404983220 /nfs/dbraw/zinc/98/32/20/1404983220.db2.gz MFAWJSWHEKMEGE-SJORKVTESA-N 2 0 325.472 2.050 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001699106929 1405262519 /nfs/dbraw/zinc/26/25/19/1405262519.db2.gz HQZVHBAXTRWORI-QFBILLFUSA-N 2 0 342.487 2.417 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ccsc3)[C@@H](C)C2)CC1 ZINC000939810782 777427529 /nfs/dbraw/zinc/42/75/29/777427529.db2.gz PGGLENLRYXGFLD-YJBOKZPZSA-N 2 0 345.512 2.030 10 30 EEEERP C#CCN(C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000922662623 801601335 /nfs/dbraw/zinc/60/13/35/801601335.db2.gz NONPPELCYHRTHX-SFHVURJKSA-N 2 0 348.535 2.236 10 30 EEEERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC001436795040 1088363890 /nfs/dbraw/zinc/36/38/90/1088363890.db2.gz GZPOYIVQYTYBEM-OALUTQOASA-N 2 0 340.471 2.027 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC001438300963 1090780747 /nfs/dbraw/zinc/78/07/47/1090780747.db2.gz LWIHCKKFAFRWAF-PBHICJAKSA-N 2 0 348.516 2.479 10 30 EEEERP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001438830920 1091451710 /nfs/dbraw/zinc/45/17/10/1091451710.db2.gz AHEKEOLINPATRL-LPHOPBHVSA-N 2 0 342.487 2.130 10 30 EEEERP CN(CCC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C[NH+]1CCCC1 ZINC001440483767 1093715792 /nfs/dbraw/zinc/71/57/92/1093715792.db2.gz QFJIJVGIXWFSPC-UHFFFAOYSA-N 2 0 346.450 2.073 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001440764623 1094004894 /nfs/dbraw/zinc/00/48/94/1094004894.db2.gz WYOQEUUIWPYNDD-UHFFFAOYSA-N 2 0 346.450 2.022 10 30 EEEERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001440840208 1094094572 /nfs/dbraw/zinc/09/45/72/1094094572.db2.gz YNJLYZWWHJFUCS-HZPDHXFCSA-N 2 0 342.487 2.415 10 30 EEEERP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001444073128 1098598427 /nfs/dbraw/zinc/59/84/27/1098598427.db2.gz MMLLREVIYHRMFS-GJZGRUSLSA-N 2 0 327.900 2.488 10 30 EEEERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001480170778 1099749378 /nfs/dbraw/zinc/74/93/78/1099749378.db2.gz FFLOYYZMTUAVMG-IYARVYRRSA-N 2 0 345.874 2.024 10 30 EEEERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001480481007 1100289137 /nfs/dbraw/zinc/28/91/37/1100289137.db2.gz UZGLLXKUPSNZIN-KGLIPLIRSA-N 2 0 334.489 2.088 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC001445360554 1100597467 /nfs/dbraw/zinc/59/74/67/1100597467.db2.gz LGEJRUOZSBDTCS-RDTXWAMCSA-N 2 0 346.450 2.164 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC001495445758 1101159354 /nfs/dbraw/zinc/15/93/54/1101159354.db2.gz GHOWDCRJNNZLAI-UFYCRDLUSA-N 2 0 339.483 2.149 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001494792132 1104374213 /nfs/dbraw/zinc/37/42/13/1104374213.db2.gz IIWSABICPLADLH-LIXSYLKWSA-N 2 0 331.504 2.269 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001498978599 1108408261 /nfs/dbraw/zinc/40/82/61/1108408261.db2.gz HEXITTJASXTGNC-IEBWSBKVSA-N 2 0 349.519 2.034 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001500466005 1112853700 /nfs/dbraw/zinc/85/37/00/1112853700.db2.gz PCYRAIYIUOFSGF-UHFFFAOYSA-N 2 0 333.520 2.494 10 30 EEEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCOCC1 ZINC001500582128 1112954570 /nfs/dbraw/zinc/95/45/70/1112954570.db2.gz SMYMEXMNMPOASZ-GOSISDBHSA-N 2 0 349.519 2.225 10 30 EEEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001501200305 1113238994 /nfs/dbraw/zinc/23/89/94/1113238994.db2.gz YFNKLTBLDSIQCS-UHFFFAOYSA-N 2 0 327.472 2.277 10 30 EEEERP C=CCCC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001506720390 1114829187 /nfs/dbraw/zinc/82/91/87/1114829187.db2.gz HXQYLPSMUVWZTK-QUCCMNQESA-N 2 0 349.519 2.130 10 30 EEEERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001507156296 1115138688 /nfs/dbraw/zinc/13/86/88/1115138688.db2.gz XADMUFZGWAAIIL-NVXWUHKLSA-N 2 0 347.890 2.080 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2C[NH2+]CCCC)CC1 ZINC001568435036 1124502461 /nfs/dbraw/zinc/50/24/61/1124502461.db2.gz WEKULXMDIDJSBK-HKUYNNGSSA-N 2 0 333.520 2.348 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000594441291 468589137 /nfs/dbraw/zinc/58/91/37/468589137.db2.gz QNISHEXNUHMVBE-ROUUACIJSA-N 2 0 328.460 2.351 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106918556 526597390 /nfs/dbraw/zinc/59/73/90/526597390.db2.gz HSLVIRMGHBGAHX-IBGZPJMESA-N 2 0 329.488 2.316 10 30 EEEERP C[NH+](C)Cc1ccc(-c2noc(C3CC4(C3)C[NH2+]C[C@H]4C#N)n2)cc1 ZINC000904081331 694286824 /nfs/dbraw/zinc/28/68/24/694286824.db2.gz DZLTXQKXHYEART-KOHRHEQBSA-N 2 0 337.427 2.405 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001266550856 1176818439 /nfs/dbraw/zinc/81/84/39/1176818439.db2.gz FKEIAEYERMMSLL-QWNKOJSDSA-N 2 0 331.504 2.126 10 30 EEEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001671492370 1176836991 /nfs/dbraw/zinc/83/69/91/1176836991.db2.gz XRQILULJZWWVSO-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ccccc1C#N ZINC001267340584 1178789613 /nfs/dbraw/zinc/78/96/13/1178789613.db2.gz NLQKAFUUQYFLDL-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)CCC[NH+]1CCCC1 ZINC001267473257 1179104042 /nfs/dbraw/zinc/10/40/42/1179104042.db2.gz HBDNQVKTXTVUIR-UHFFFAOYSA-N 2 0 346.450 2.121 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2c(C)cccc2C)CC1 ZINC001480951165 1179115907 /nfs/dbraw/zinc/11/59/07/1179115907.db2.gz QBNYHDVFXMEHTP-UHFFFAOYSA-N 2 0 341.499 2.197 10 30 EEEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001267488242 1179155732 /nfs/dbraw/zinc/15/57/32/1179155732.db2.gz HORIOUZWOMTUMS-QGZVFWFLSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001267524658 1179262712 /nfs/dbraw/zinc/26/27/12/1179262712.db2.gz DVIKFMPWSSVTGR-IBGZPJMESA-N 2 0 327.472 2.189 10 30 EEEERP CC#CC[N@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001481354526 1181106297 /nfs/dbraw/zinc/10/62/97/1181106297.db2.gz ILYVNAVAKWHFML-LJQANCHMSA-N 2 0 339.499 2.439 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001268542092 1183213616 /nfs/dbraw/zinc/21/36/16/1183213616.db2.gz OSWJHPCHILGYID-IDOMTICXSA-N 2 0 346.500 2.255 10 30 EEEERP N#Cc1ccc(C[NH2+]C/C=C\CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001268630756 1183553221 /nfs/dbraw/zinc/55/32/21/1183553221.db2.gz PLUZSMPVGUYPKY-IHWYPQMZSA-N 2 0 340.471 2.196 10 30 EEEERP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001269575200 1184404574 /nfs/dbraw/zinc/40/45/74/1184404574.db2.gz RNZLZYJXASNCAL-QBUWPKIASA-N 2 0 349.519 2.033 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001269958734 1184744843 /nfs/dbraw/zinc/74/48/43/1184744843.db2.gz JAUOQABFXIOFTI-XLIONFOSSA-N 2 0 341.499 2.397 10 30 EEEERP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001271102084 1185887238 /nfs/dbraw/zinc/88/72/38/1185887238.db2.gz XELKZMUIRSSLER-LSDHHAIUSA-N 2 0 331.451 2.366 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC2=CCCCC2)CC1 ZINC001271215345 1186085125 /nfs/dbraw/zinc/08/51/25/1186085125.db2.gz FTTGMFAIFSKXEY-QGZVFWFLSA-N 2 0 331.504 2.269 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001271698232 1186378880 /nfs/dbraw/zinc/37/88/80/1186378880.db2.gz AWHBQNSDXSVGMI-QFBILLFUSA-N 2 0 333.520 2.369 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001482649296 1187479773 /nfs/dbraw/zinc/47/97/73/1187479773.db2.gz CEECXKKQAWIXPT-GOSISDBHSA-N 2 0 341.499 2.483 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001272828884 1193567006 /nfs/dbraw/zinc/56/70/06/1193567006.db2.gz FFVVHQBVNOYXIM-AWEZNQCLSA-N 2 0 346.450 2.166 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001485883117 1193628949 /nfs/dbraw/zinc/62/89/49/1193628949.db2.gz ONAZYPWEWWKZGE-KBPBESRZSA-N 2 0 346.313 2.206 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001483233504 1189668480 /nfs/dbraw/zinc/66/84/80/1189668480.db2.gz VGKZQGBOAMDASE-MAUKXSAKSA-N 2 0 328.460 2.027 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001272302910 1190752299 /nfs/dbraw/zinc/75/22/99/1190752299.db2.gz WMQCGFXIVVNWRU-VQTJNVASSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001484168371 1191255186 /nfs/dbraw/zinc/25/51/86/1191255186.db2.gz XGLCYVBSPCBCGX-AZUAARDMSA-N 2 0 333.520 2.350 10 30 EEEERP C=C(C)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CCOCC1 ZINC001484191526 1191262854 /nfs/dbraw/zinc/26/28/54/1191262854.db2.gz SVWSSQCXDSEWLR-UHFFFAOYSA-N 2 0 337.508 2.084 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001484545510 1191407843 /nfs/dbraw/zinc/40/78/43/1191407843.db2.gz QRYGMTCIMFFJIW-OAHLLOKOSA-N 2 0 348.516 2.290 10 30 EEEERP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001484987616 1191603702 /nfs/dbraw/zinc/60/37/02/1191603702.db2.gz DEAPVXXWSJWLOI-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485076577 1191645183 /nfs/dbraw/zinc/64/51/83/1191645183.db2.gz JRHIOLQGWZSLNL-LJQANCHMSA-N 2 0 331.504 2.055 10 30 EEEERP CC#CC[NH2+][C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC001486187948 1193730284 /nfs/dbraw/zinc/73/02/84/1193730284.db2.gz CCPYBDOZPGOBJP-VQTJNVASSA-N 2 0 341.499 2.201 10 30 EEEERP CC(C)N(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[NH+]1C ZINC001411199471 1198907281 /nfs/dbraw/zinc/90/72/81/1198907281.db2.gz OFHUIFGYXYBORR-LJQANCHMSA-N 2 0 342.487 2.321 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000876898235 1199811494 /nfs/dbraw/zinc/81/14/94/1199811494.db2.gz PWOFRVOKBGLXMJ-CJNGLKHVSA-N 2 0 336.867 2.193 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1 ZINC001274609035 1205095463 /nfs/dbraw/zinc/09/54/63/1205095463.db2.gz HUOJNGLHFUXAOX-PHWHVTFISA-N 2 0 340.471 2.195 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CCC2CCCC2)CC1 ZINC001274610701 1205097211 /nfs/dbraw/zinc/09/72/11/1205097211.db2.gz PVFNQBZFXWXRCU-AATRIKPKSA-N 2 0 331.504 2.174 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001275571892 1205422712 /nfs/dbraw/zinc/42/27/12/1205422712.db2.gz RYDJEMMMGMQERS-CVEARBPZSA-N 2 0 333.451 2.000 10 30 EEEERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000925797591 1206154973 /nfs/dbraw/zinc/15/49/73/1206154973.db2.gz OWKCKQPPFNMXCS-VQIMIIECSA-N 2 0 326.488 2.358 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000900286325 1234159558 /nfs/dbraw/zinc/15/95/58/1234159558.db2.gz HFYBXOTUFGNGKD-UHFFFAOYSA-N 2 0 345.487 2.284 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001491018791 1258574577 /nfs/dbraw/zinc/57/45/77/1258574577.db2.gz QPSXKHJNQKCZHU-ZGXWSNOMSA-N 2 0 339.483 2.005 10 30 EEEERP C=CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001491214392 1258779811 /nfs/dbraw/zinc/77/98/11/1258779811.db2.gz PUHIKTQOCKUMHJ-GOSISDBHSA-N 2 0 349.519 2.036 10 30 EEEERP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000859213538 1294350604 /nfs/dbraw/zinc/35/06/04/1294350604.db2.gz PMQOOLJZVFEPKT-IBGZPJMESA-N 2 0 345.487 2.251 10 30 EEEERP CC[C@@H](C(=O)NCC1([NH2+]CC#Cc2cccc(Cl)c2)CC1)[NH+](C)C ZINC001277178357 1301668203 /nfs/dbraw/zinc/66/82/03/1301668203.db2.gz WPDPZHLCUDRNEY-KRWDZBQOSA-N 2 0 347.890 2.270 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001277393197 1302814758 /nfs/dbraw/zinc/81/47/58/1302814758.db2.gz GIXXUKHTFWNWDV-IBGZPJMESA-N 2 0 345.531 2.445 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)Cc2ccccc2)[C@@H](C)C1 ZINC001277786033 1304483495 /nfs/dbraw/zinc/48/34/95/1304483495.db2.gz SBJIXMYLRCWHSU-HKUYNNGSSA-N 2 0 327.472 2.111 10 30 EEEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001264127877 1322636415 /nfs/dbraw/zinc/63/64/15/1322636415.db2.gz NEBRWAUHHSKNCC-RBUKOAKNSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265824038 1323403002 /nfs/dbraw/zinc/40/30/02/1323403002.db2.gz OTLWTQKKRTXPFU-HOTGVXAUSA-N 2 0 347.890 2.128 10 30 EEEERP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001266087868 1323645978 /nfs/dbraw/zinc/64/59/78/1323645978.db2.gz FKMUHGZCZNGXOV-UHFFFAOYSA-N 2 0 347.890 2.283 10 30 EEEERP CC#CC[NH2+]CC1CC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001282066412 1325607035 /nfs/dbraw/zinc/60/70/35/1325607035.db2.gz IWNHORNKCZONBL-NKELODKYSA-N 2 0 327.472 2.187 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+]([C@H](C)CCC=C)C2)CC1 ZINC001282740973 1325776996 /nfs/dbraw/zinc/77/69/96/1325776996.db2.gz PTCZSLVQBROKFM-IAGOWNOFSA-N 2 0 331.504 2.123 10 30 EEEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001284814777 1326726676 /nfs/dbraw/zinc/72/66/76/1326726676.db2.gz CCLFMAFXXSJIDW-ACBHZAAOSA-N 2 0 327.472 2.282 10 30 EEEERP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001316755565 1331875084 /nfs/dbraw/zinc/87/50/84/1331875084.db2.gz IFQDBMJUQKDNAC-OKYOBFRVSA-N 2 0 333.520 2.463 10 30 EEEERP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001317099288 1332078553 /nfs/dbraw/zinc/07/85/53/1332078553.db2.gz AGZNWSCESWJHQF-MOPGFXCFSA-N 2 0 331.504 2.199 10 30 EEEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001317794523 1332411908 /nfs/dbraw/zinc/41/19/08/1332411908.db2.gz CWZODNKLQCJJSN-SFHVURJKSA-N 2 0 341.499 2.256 10 30 EEEERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001322662752 1333303212 /nfs/dbraw/zinc/30/32/12/1333303212.db2.gz SUJKPYSQDRAYGV-LPHOPBHVSA-N 2 0 342.487 2.227 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1CC ZINC001323167943 1333402395 /nfs/dbraw/zinc/40/23/95/1333402395.db2.gz KFODOEFFAMQQET-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+](CC#Cc2ccccc2)CC1 ZINC001324339456 1333661196 /nfs/dbraw/zinc/66/11/96/1333661196.db2.gz FORMNVRDOSUVOO-UHFFFAOYSA-N 2 0 341.499 2.351 10 30 EEEERP C#CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)C1CC[NH+](CC)CC1 ZINC001324420026 1333678971 /nfs/dbraw/zinc/67/89/71/1333678971.db2.gz JCNZPMRWIXUQGQ-UHFFFAOYSA-N 2 0 341.499 2.350 10 30 EEEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001324420633 1333679659 /nfs/dbraw/zinc/67/96/59/1333679659.db2.gz WXYZKPDQYPDRDG-RDJZCZTQSA-N 2 0 325.472 2.001 10 30 EEEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001324935347 1333790598 /nfs/dbraw/zinc/79/05/98/1333790598.db2.gz CYNSZWCVYHZUCY-IBGZPJMESA-N 2 0 330.476 2.166 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001325006069 1333806381 /nfs/dbraw/zinc/80/63/81/1333806381.db2.gz YJPPPUKQSMMNET-QGZVFWFLSA-N 2 0 337.508 2.082 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001325560461 1333911803 /nfs/dbraw/zinc/91/18/03/1333911803.db2.gz BUPJLOZZBKFPPF-MJGOQNOKSA-N 2 0 329.488 2.031 10 30 EEEERP C[N@H+](CC#Cc1ccccc1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001331043362 1334952128 /nfs/dbraw/zinc/95/21/28/1334952128.db2.gz BSKFVHPKQYRGCL-HXUWFJFHSA-N 2 0 339.483 2.055 10 30 EEEERP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001339719718 1337060074 /nfs/dbraw/zinc/06/00/74/1337060074.db2.gz MLWDIXIBWVMQMU-IAGOWNOFSA-N 2 0 346.523 2.050 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001567183753 1342706721 /nfs/dbraw/zinc/70/67/21/1342706721.db2.gz NOWQZRNGQMZPJH-UHFFFAOYSA-N 2 0 329.488 2.046 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001569708537 1342928673 /nfs/dbraw/zinc/92/86/73/1342928673.db2.gz BYPDOENVKXOIHZ-SFHVURJKSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001570722549 1343107170 /nfs/dbraw/zinc/10/71/70/1343107170.db2.gz XCAVCLQBIKNOLB-HNNXBMFYSA-N 2 0 327.432 2.284 10 30 EEEERP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)CCCC[NH+](C)C ZINC001676766900 1357196860 /nfs/dbraw/zinc/19/68/60/1357196860.db2.gz KJTNVVCJFDPGEJ-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001677238603 1357299241 /nfs/dbraw/zinc/29/92/41/1357299241.db2.gz WRSJWEFEEIYWAX-RBUKOAKNSA-N 2 0 341.499 2.253 10 30 EEEERP C#CC[NH+]1CCC(C2(NC(=O)C3(C[NH+](C)C)CCCCC3)CC2)CC1 ZINC001677463103 1357335900 /nfs/dbraw/zinc/33/59/00/1357335900.db2.gz QVRJWCNXKQEZAF-UHFFFAOYSA-N 2 0 345.531 2.493 10 30 EEEERP C=C(C)C[N@H+](CC)CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001660558054 1354489492 /nfs/dbraw/zinc/48/94/92/1354489492.db2.gz UCRXDQUQJKYYQR-UHFFFAOYSA-N 2 0 327.432 2.285 10 30 EEEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001661169183 1354599955 /nfs/dbraw/zinc/59/99/55/1354599955.db2.gz VRQUJQFEUSHYSV-HSALFYBXSA-N 2 0 341.499 2.392 10 30 EEEERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001662318836 1354779423 /nfs/dbraw/zinc/77/94/23/1354779423.db2.gz BQMKIXHNVXFIGH-HNNXBMFYSA-N 2 0 347.890 2.128 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)CCC[NH+]1CCCC1 ZINC001664392212 1355153305 /nfs/dbraw/zinc/15/33/05/1355153305.db2.gz ZRVDRQJRZATMKX-UHFFFAOYSA-N 2 0 345.462 2.101 10 30 EEEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001666306660 1355506515 /nfs/dbraw/zinc/50/65/15/1355506515.db2.gz SIHGLVMFWKPUDV-MXVIHJGJSA-N 2 0 341.499 2.445 10 30 EEEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1cn2cccc(C)c2n1 ZINC001667111531 1355650329 /nfs/dbraw/zinc/65/03/29/1355650329.db2.gz BXPXCXLWOIZXLC-MRXNPFEDSA-N 2 0 328.460 2.492 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001667346397 1355716829 /nfs/dbraw/zinc/71/68/29/1355716829.db2.gz QMWUQKOYIVATFV-PKOBYXMFSA-N 2 0 333.520 2.347 10 30 EEEERP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)O2 ZINC001673541593 1355735121 /nfs/dbraw/zinc/73/51/21/1355735121.db2.gz BDOKGXDABYCMQG-GOSISDBHSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC001669483000 1356165447 /nfs/dbraw/zinc/16/54/47/1356165447.db2.gz UVSZPSSMLAUAJM-OAHLLOKOSA-N 2 0 347.890 2.280 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCCC=C)C[C@H]32)CC1 ZINC001672567282 1356556332 /nfs/dbraw/zinc/55/63/32/1356556332.db2.gz BHGDAXBJVHBCMW-VQTJNVASSA-N 2 0 343.515 2.221 10 30 EEEERP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743527 779230886 /nfs/dbraw/zinc/23/08/86/779230886.db2.gz CCPHQIVFQIRMCZ-PKOBYXMFSA-N 2 0 345.531 2.491 10 30 EEEERP C#C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000847027805 790842001 /nfs/dbraw/zinc/84/20/01/790842001.db2.gz XAUNNXCRJPXNEA-SFHVURJKSA-N 2 0 339.483 2.244 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+](CC=C)CC=C)CC1 ZINC000914126135 794941837 /nfs/dbraw/zinc/94/18/37/794941837.db2.gz UQMNITGLEILQIA-IBGZPJMESA-N 2 0 346.519 2.082 10 30 EEEERP C[N@@H+](CC#Cc1ccccc1Cl)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001566516267 1125688137 /nfs/dbraw/zinc/68/81/37/1125688137.db2.gz FJGFBWZTPZTRCO-QGZVFWFLSA-N 2 0 347.890 2.081 10 30 EEEERP C#CCC[NH+](CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001566596320 1125786953 /nfs/dbraw/zinc/78/69/53/1125786953.db2.gz CSVDWBFNNKKVOO-IBGZPJMESA-N 2 0 337.483 2.193 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001437163591 1089178140 /nfs/dbraw/zinc/17/81/40/1089178140.db2.gz NAXYLGCVDPDIGU-ZIAGYGMSSA-N 2 0 346.313 2.110 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001438343530 1090820316 /nfs/dbraw/zinc/82/03/16/1090820316.db2.gz NREVDKVCAGHJSD-ZWKOTPCHSA-N 2 0 346.450 2.166 10 30 EEEERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001438836153 1091463381 /nfs/dbraw/zinc/46/33/81/1091463381.db2.gz DFDXOUZIHIJEOG-SFHVURJKSA-N 2 0 346.450 2.024 10 30 EEEERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001439509747 1092350886 /nfs/dbraw/zinc/35/08/86/1092350886.db2.gz GAXQFBUWOVXYQL-MOPGFXCFSA-N 2 0 342.487 2.227 10 30 EEEERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001443882187 1098408622 /nfs/dbraw/zinc/40/86/22/1098408622.db2.gz SNJVRPACCQKJRU-LJQANCHMSA-N 2 0 342.487 2.321 10 30 EEEERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001479640674 1098670601 /nfs/dbraw/zinc/67/06/01/1098670601.db2.gz VAXLZVDYSNZOKK-RBUKOAKNSA-N 2 0 342.487 2.369 10 30 EEEERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001444326533 1098887853 /nfs/dbraw/zinc/88/78/53/1098887853.db2.gz PNTUHFQKVMNALX-AWEZNQCLSA-N 2 0 346.450 2.024 10 30 EEEERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001480481009 1100289281 /nfs/dbraw/zinc/28/92/81/1100289281.db2.gz UZGLLXKUPSNZIN-UONOGXRCSA-N 2 0 334.489 2.088 10 30 EEEERP C[NH+](C)CCC(=O)NCCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001495530519 1101244806 /nfs/dbraw/zinc/24/48/06/1101244806.db2.gz DWHOCVMOXOTEJF-UHFFFAOYSA-N 2 0 342.487 2.228 10 30 EEEERP CC[N@H+](C)CCC(=O)NC[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001495779534 1101583618 /nfs/dbraw/zinc/58/36/18/1101583618.db2.gz QMZLYEQBWPHRAN-MRXNPFEDSA-N 2 0 349.906 2.375 10 30 EEEERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001447870847 1103484194 /nfs/dbraw/zinc/48/41/94/1103484194.db2.gz QQCILKAESUUANI-ZIAGYGMSSA-N 2 0 346.450 2.164 10 30 EEEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001494205599 1103693847 /nfs/dbraw/zinc/69/38/47/1103693847.db2.gz OSIXCLKFFXUAPH-LJQANCHMSA-N 2 0 333.520 2.443 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001498042199 1106821497 /nfs/dbraw/zinc/82/14/97/1106821497.db2.gz LCJDDMQYAXFQDS-KBXCAEBGSA-N 2 0 346.450 2.164 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCC=C)C2)CC1 ZINC001480709879 1106932273 /nfs/dbraw/zinc/93/22/73/1106932273.db2.gz MUORRGFECTVZHE-RTBURBONSA-N 2 0 331.504 2.315 10 30 EEEERP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001480729015 1106988918 /nfs/dbraw/zinc/98/89/18/1106988918.db2.gz CEBZBMNEKMCHRM-VQTJNVASSA-N 2 0 341.499 2.301 10 30 EEEERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001480808893 1107155335 /nfs/dbraw/zinc/15/53/35/1107155335.db2.gz QFFILASGCZORGW-INIZCTEOSA-N 2 0 347.890 2.272 10 30 EEEERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001480808894 1107155381 /nfs/dbraw/zinc/15/53/81/1107155381.db2.gz QFFILASGCZORGW-MRXNPFEDSA-N 2 0 347.890 2.272 10 30 EEEERP C=C(C)C[N@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001493415209 1108112861 /nfs/dbraw/zinc/11/28/61/1108112861.db2.gz WUHKSYVJZJMJNX-SFHVURJKSA-N 2 0 325.472 2.356 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001499530544 1112346630 /nfs/dbraw/zinc/34/66/30/1112346630.db2.gz SOSMXXCZRGLPDY-IBGZPJMESA-N 2 0 331.504 2.197 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001499842972 1112508490 /nfs/dbraw/zinc/50/84/90/1112508490.db2.gz DMNMPVYQEIFANH-PXNSSMCTSA-N 2 0 341.499 2.397 10 30 EEEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001501235027 1113255334 /nfs/dbraw/zinc/25/53/34/1113255334.db2.gz BEEAHBZLPHPAHO-GBESFXJTSA-N 2 0 333.520 2.463 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501651407 1113416167 /nfs/dbraw/zinc/41/61/67/1113416167.db2.gz OOWCTFRQBVBYQV-IBGZPJMESA-N 2 0 342.487 2.227 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001501715308 1113446577 /nfs/dbraw/zinc/44/65/77/1113446577.db2.gz CFTUTNLYCFARSS-RUCARUNLSA-N 2 0 327.472 2.260 10 30 EEEERP CC#CCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001503689990 1113898894 /nfs/dbraw/zinc/89/88/94/1113898894.db2.gz CPDKZNNTUOZGJG-WOJBJXKFSA-N 2 0 341.499 2.312 10 30 EEEERP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001505397428 1113934574 /nfs/dbraw/zinc/93/45/74/1113934574.db2.gz FXGNOAQPXWQOGZ-IBGZPJMESA-N 2 0 333.520 2.301 10 30 EEEERP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001506506573 1114658605 /nfs/dbraw/zinc/65/86/05/1114658605.db2.gz YXKYJWHDGFQYNC-MRXNPFEDSA-N 2 0 339.911 2.489 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001507360173 1115221217 /nfs/dbraw/zinc/22/12/17/1115221217.db2.gz GELBRVGTXOXZKG-ARFHVFGLSA-N 2 0 327.900 2.297 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CCCC2CCC2)CC1 ZINC001569152518 1125131182 /nfs/dbraw/zinc/13/11/82/1125131182.db2.gz CLKXUIGKLGEJOH-QGZVFWFLSA-N 2 0 333.520 2.348 10 30 EEEERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001569237207 1125184993 /nfs/dbraw/zinc/18/49/93/1125184993.db2.gz AMUSFNKGGPPEJM-LJQANCHMSA-N 2 0 347.478 2.202 10 30 EEEERP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000131479179 529866805 /nfs/dbraw/zinc/86/68/05/529866805.db2.gz DIQBOPJCJQQSDJ-SFHVURJKSA-N 2 0 334.508 2.337 10 30 EEEERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459022463 285278720 /nfs/dbraw/zinc/27/87/20/285278720.db2.gz YJFBKJUNSDIMFL-BZSNNMDCSA-N 2 0 349.523 2.126 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C(C)C ZINC000417058330 466767730 /nfs/dbraw/zinc/76/77/30/466767730.db2.gz FJRLHUQHDCGTNB-QZTJIDSGSA-N 2 0 334.508 2.221 10 30 EEEERP C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000425538931 467107113 /nfs/dbraw/zinc/10/71/13/467107113.db2.gz SURSIJKZSJICRW-HNNXBMFYSA-N 2 0 340.471 2.294 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000594441209 468589111 /nfs/dbraw/zinc/58/91/11/468589111.db2.gz OUJPYJMHVLKWDQ-SFHVURJKSA-N 2 0 328.460 2.310 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594441085 468589615 /nfs/dbraw/zinc/58/96/15/468589615.db2.gz MMDSUNHUAZVVTO-MOPGFXCFSA-N 2 0 342.487 2.426 10 30 EEEERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000596654011 469322983 /nfs/dbraw/zinc/32/29/83/469322983.db2.gz NJOSNYMQNVXNDI-LJQANCHMSA-N 2 0 340.471 2.126 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000171715687 526449034 /nfs/dbraw/zinc/44/90/34/526449034.db2.gz HDFOUDMTJIEKFM-UHFFFAOYSA-N 2 0 331.460 2.007 10 30 EEEERP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)CC1 ZINC000093132887 529152463 /nfs/dbraw/zinc/15/24/63/529152463.db2.gz GJJYYRILEHEHRU-HKUYNNGSSA-N 2 0 342.487 2.189 10 30 EEEERP C#CCN(C(=O)NCCCCCCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000914401056 683560499 /nfs/dbraw/zinc/56/04/99/683560499.db2.gz AGTIIHLOYSTJEQ-UHFFFAOYSA-N 2 0 336.524 2.238 10 30 EEEERP CC[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262432386 686048944 /nfs/dbraw/zinc/04/89/44/686048944.db2.gz FJSCBRQDDLVMLN-DLBZAZTESA-N 2 0 346.523 2.049 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485748160 1191930362 /nfs/dbraw/zinc/93/03/62/1191930362.db2.gz KVXYWXDMSCCSGC-HOCLYGCPSA-N 2 0 346.450 2.024 10 30 EEEERP C[N@H+](CC#Cc1ccccc1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001485766785 1191941136 /nfs/dbraw/zinc/94/11/36/1191941136.db2.gz KDHLRRBLNOKCTA-UHFFFAOYSA-N 2 0 339.483 2.057 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCCCCC)CC1 ZINC001266495577 1176637750 /nfs/dbraw/zinc/63/77/50/1176637750.db2.gz PGBMBQCKXWFEOT-LJQANCHMSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001266527222 1176744251 /nfs/dbraw/zinc/74/42/51/1176744251.db2.gz KINHROHJCRHGKX-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001772542525 1177421290 /nfs/dbraw/zinc/42/12/90/1177421290.db2.gz CBUOODDSRSQHKA-ROUUACIJSA-N 2 0 347.507 2.042 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266878903 1177691293 /nfs/dbraw/zinc/69/12/93/1177691293.db2.gz MMDVAXXZNOCYBE-VQIMIIECSA-N 2 0 337.483 2.193 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2C)CC1 ZINC001267232581 1178557946 /nfs/dbraw/zinc/55/79/46/1178557946.db2.gz JJKFYHQSGUJMIE-UHFFFAOYSA-N 2 0 345.462 2.027 10 30 EEEERP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001267476357 1179112874 /nfs/dbraw/zinc/11/28/74/1179112874.db2.gz ZZGAERNBTUNIFF-OALUTQOASA-N 2 0 333.520 2.445 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267791716 1180540382 /nfs/dbraw/zinc/54/03/82/1180540382.db2.gz WNLLXFHNDSZHLV-VQIMIIECSA-N 2 0 337.483 2.145 10 30 EEEERP CC#CC[NH2+]C[C@@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001267873076 1180664331 /nfs/dbraw/zinc/66/43/31/1180664331.db2.gz HHNPGAYQBHHPHX-XLIONFOSSA-N 2 0 333.520 2.396 10 30 EEEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001268134421 1181788836 /nfs/dbraw/zinc/78/88/36/1181788836.db2.gz JDAORAQXKWQHKT-MJGOQNOKSA-N 2 0 329.488 2.174 10 30 EEEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001481831592 1182765065 /nfs/dbraw/zinc/76/50/65/1182765065.db2.gz JTRQPFUPJSZJOB-HNNXBMFYSA-N 2 0 327.432 2.332 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]Cc2cccc(C)c2)CC1 ZINC001268499651 1183027620 /nfs/dbraw/zinc/02/76/20/1183027620.db2.gz NUGJSVLVIREWKA-UHFFFAOYSA-N 2 0 341.499 2.278 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H]1CCc2ccccc21 ZINC001268798971 1183719224 /nfs/dbraw/zinc/71/92/24/1183719224.db2.gz RWJXKKOZWYXTID-PMACEKPBSA-N 2 0 339.483 2.210 10 30 EEEERP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001269552404 1184378277 /nfs/dbraw/zinc/37/82/77/1184378277.db2.gz CGARBXQATXIUBY-MOPGFXCFSA-N 2 0 333.520 2.465 10 30 EEEERP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001269592935 1184416678 /nfs/dbraw/zinc/41/66/78/1184416678.db2.gz IEXLZMCERAFLOX-IKGGRYGDSA-N 2 0 325.472 2.308 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001269645174 1184466675 /nfs/dbraw/zinc/46/66/75/1184466675.db2.gz LYUVSRIRXDNJAP-OAQYLSRUSA-N 2 0 341.499 2.254 10 30 EEEERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001691506420 1184866974 /nfs/dbraw/zinc/86/69/74/1184866974.db2.gz PVSGHHNVZZOWQK-UFYCRDLUSA-N 2 0 341.499 2.109 10 30 EEEERP C=CCOCC[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001270237892 1184949425 /nfs/dbraw/zinc/94/94/25/1184949425.db2.gz YUHHFQWRPFLVQH-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001270517374 1185142934 /nfs/dbraw/zinc/14/29/34/1185142934.db2.gz OZUSRWAXAZXRAF-YJBOKZPZSA-N 2 0 349.906 2.374 10 30 EEEERP CC(C)C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482397632 1185606988 /nfs/dbraw/zinc/60/69/88/1185606988.db2.gz BVSVYYINRALYLA-WOJBJXKFSA-N 2 0 341.499 2.110 10 30 EEEERP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001271181604 1186063459 /nfs/dbraw/zinc/06/34/59/1186063459.db2.gz LSIPIXUOTWHSJV-INIZCTEOSA-N 2 0 349.906 2.470 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001271445935 1186232612 /nfs/dbraw/zinc/23/26/12/1186232612.db2.gz IVNTVFCEBADNQF-PXNSSMCTSA-N 2 0 341.499 2.361 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(CC)cc1 ZINC001482603299 1187347985 /nfs/dbraw/zinc/34/79/85/1187347985.db2.gz AGYYBOMYGCMQJB-FQEVSTJZSA-N 2 0 341.499 2.237 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482692429 1187659242 /nfs/dbraw/zinc/65/92/42/1187659242.db2.gz JKGDJHQMNIQMKF-OALUTQOASA-N 2 0 327.472 2.260 10 30 EEEERP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)CC[C@@H]21 ZINC001272223727 1188379590 /nfs/dbraw/zinc/37/95/90/1188379590.db2.gz JABQHNZVDNCTOG-MOPGFXCFSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCC2CCCC2)CC1 ZINC001671385593 1188501708 /nfs/dbraw/zinc/50/17/08/1188501708.db2.gz YXDRPAQCHRYKCO-FQEVSTJZSA-N 2 0 345.531 2.493 10 30 EEEERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001272865800 1193583229 /nfs/dbraw/zinc/58/32/29/1193583229.db2.gz NRGHJBNNUPIDEQ-SUMWQHHRSA-N 2 0 334.439 2.022 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001483512289 1190525496 /nfs/dbraw/zinc/52/54/96/1190525496.db2.gz UZCKLDXXBHOBEI-HUUCEWRRSA-N 2 0 348.516 2.431 10 30 EEEERP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001486124402 1193688766 /nfs/dbraw/zinc/68/87/66/1193688766.db2.gz PCTAUBVIFJOJHC-APWZRJJASA-N 2 0 327.472 2.007 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C1CC[NH+](C(C)C)CC1 ZINC001483988494 1191143871 /nfs/dbraw/zinc/14/38/71/1191143871.db2.gz CVJACYIUCGCVGP-UHFFFAOYSA-N 2 0 345.531 2.443 10 30 EEEERP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCCCCF)CC1 ZINC001483988604 1191143896 /nfs/dbraw/zinc/14/38/96/1191143896.db2.gz HEOBNNHEMKHNNN-UHFFFAOYSA-N 2 0 349.494 2.148 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001484383793 1191322922 /nfs/dbraw/zinc/32/29/22/1191322922.db2.gz CUUXALRAXHEYEH-HKUYNNGSSA-N 2 0 347.547 2.452 10 30 EEEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001484928237 1191573977 /nfs/dbraw/zinc/57/39/77/1191573977.db2.gz LSKIKGJOVAFSMM-SFHVURJKSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]C[C@H](C)CC)CC1 ZINC001485266183 1191711343 /nfs/dbraw/zinc/71/13/43/1191711343.db2.gz UFBYEICSBBNPEJ-QGZVFWFLSA-N 2 0 335.536 2.452 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001485386842 1191774336 /nfs/dbraw/zinc/77/43/36/1191774336.db2.gz AMFGYWLNPQHFRI-LPHOPBHVSA-N 2 0 342.487 2.369 10 30 EEEERP C=CC[C@]1(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)CCC[NH2+]1 ZINC000877224635 1199883756 /nfs/dbraw/zinc/88/37/56/1199883756.db2.gz LJXLANBIDHBWOB-OAQYLSRUSA-N 2 0 341.499 2.465 10 30 EEEERP CC[C@H](C(=O)N(C)CCC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001276071275 1205760445 /nfs/dbraw/zinc/76/04/45/1205760445.db2.gz QGBPOYJWCQRCGF-GOSISDBHSA-N 2 0 349.906 2.470 10 30 EEEERP C[NH+]=C(NCc1coc(-c2ccccc2)n1)NC[C@@H](C)[NH+]1CCCC1 ZINC000095964611 1215633261 /nfs/dbraw/zinc/63/32/61/1215633261.db2.gz XPRCJNUDWWIWFO-OAHLLOKOSA-N 2 0 341.459 2.491 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000900622928 1234576111 /nfs/dbraw/zinc/57/61/11/1234576111.db2.gz HOADLZZYSVKSNM-UHFFFAOYSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(C#N)ccn1 ZINC000903048503 1239616207 /nfs/dbraw/zinc/61/62/07/1239616207.db2.gz NSXOVUNCIGOZAK-DNVCBOLYSA-N 2 0 336.439 2.371 10 30 EEEERP C[C@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000852865514 1292220295 /nfs/dbraw/zinc/22/02/95/1292220295.db2.gz GBUMYLYOOOATMD-FXAWDEMLSA-N 2 0 339.483 2.159 10 30 EEEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001276799117 1297873905 /nfs/dbraw/zinc/87/39/05/1297873905.db2.gz HMWJDZGVWOFOHK-IRXDYDNUSA-N 2 0 339.524 2.136 10 30 EEEERP C=CC[C@]1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)CCC[NH2+]1 ZINC001118570055 1308886771 /nfs/dbraw/zinc/88/67/71/1308886771.db2.gz XXKHRJMAMVYREP-HXUWFJFHSA-N 2 0 342.487 2.384 10 30 EEEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001278549582 1317209441 /nfs/dbraw/zinc/20/94/41/1317209441.db2.gz BNEIKIZKNIHSES-OAQYLSRUSA-N 2 0 341.499 2.012 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001265283531 1323034373 /nfs/dbraw/zinc/03/43/73/1323034373.db2.gz GAXKJFLIBZZVGO-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001265655236 1323300281 /nfs/dbraw/zinc/30/02/81/1323300281.db2.gz CYCWCWUEYMNCLW-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@]34CC[NH+](C3)CCC4)[C@@H]2C1 ZINC001279631158 1323965852 /nfs/dbraw/zinc/96/58/52/1323965852.db2.gz RZWOKYFGLWNBPY-NSHGMRRFSA-N 2 0 331.504 2.361 10 30 EEEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001280207392 1324114796 /nfs/dbraw/zinc/11/47/96/1324114796.db2.gz KKMBTYAXSCBBKE-RLLQIKCJSA-N 2 0 341.499 2.346 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001281559798 1325278110 /nfs/dbraw/zinc/27/81/10/1325278110.db2.gz YNAZBPABIHSUJB-QGZVFWFLSA-N 2 0 349.519 2.034 10 30 EEEERP C=CCOCC[N@H+]1CCCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001282667748 1325760920 /nfs/dbraw/zinc/76/09/20/1325760920.db2.gz RMKOFHHEBSNHDG-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC001285016075 1326830131 /nfs/dbraw/zinc/83/01/31/1326830131.db2.gz QMBRBAKZIYMLKH-AEFFLSMTSA-N 2 0 345.462 2.285 10 30 EEEERP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001316713629 1331858755 /nfs/dbraw/zinc/85/87/55/1331858755.db2.gz GXVJKRHLAANKIO-NCXUSEDFSA-N 2 0 333.520 2.347 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)s1 ZINC001316825733 1331916418 /nfs/dbraw/zinc/91/64/18/1331916418.db2.gz UTFZXPMJHLBDQO-QGZVFWFLSA-N 2 0 348.516 2.431 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001317111708 1332084080 /nfs/dbraw/zinc/08/40/80/1332084080.db2.gz MXWGWOFWYMOUGI-ZCNNSNEGSA-N 2 0 339.483 2.149 10 30 EEEERP CC[C@@H](C(=O)N(C)CC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001317626391 1332335239 /nfs/dbraw/zinc/33/52/39/1332335239.db2.gz AOVYTLCVQNGAAC-KRWDZBQOSA-N 2 0 335.879 2.080 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]Cc2cccc(C)c2)CC1 ZINC001322843612 1333338985 /nfs/dbraw/zinc/33/89/85/1333338985.db2.gz DFNLXZNOZVJIJA-UHFFFAOYSA-N 2 0 341.499 2.278 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001324232416 1333639778 /nfs/dbraw/zinc/63/97/78/1333639778.db2.gz BKWQZPUNOGUHNW-AQNXPRMDSA-N 2 0 341.499 2.489 10 30 EEEERP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001325055831 1333820708 /nfs/dbraw/zinc/82/07/08/1333820708.db2.gz WJTUJZCOJCPIDN-OAHLLOKOSA-N 2 0 331.451 2.366 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C/C=C\Cl)CC(C)C)CC1 ZINC001667118396 1355651642 /nfs/dbraw/zinc/65/16/42/1355651642.db2.gz RAGMPCHQXHUEPK-AFCDSYGPSA-N 2 0 339.911 2.205 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](C[C@H](C)CC(C)C)C2)CC1 ZINC001506678556 1342311170 /nfs/dbraw/zinc/31/11/70/1342311170.db2.gz JPTOGBQZJCYFEW-MSOLQXFVSA-N 2 0 347.547 2.450 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568767094 1342850724 /nfs/dbraw/zinc/85/07/24/1342850724.db2.gz UYMSHVAHJQJVKG-INIZCTEOSA-N 2 0 334.489 2.042 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001570219866 1343034807 /nfs/dbraw/zinc/03/48/07/1343034807.db2.gz IGALVEBRLDZRTN-RTBURBONSA-N 2 0 333.520 2.301 10 30 EEEERP CC[NH+](CC)CCCC1CCN(C(=O)NCC#CC[NH+](C)C)CC1 ZINC001676929926 1357243870 /nfs/dbraw/zinc/24/38/70/1357243870.db2.gz HKAVCXTXGJAMCQ-UHFFFAOYSA-N 2 0 336.524 2.095 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(CC)c2)CC1 ZINC001662423315 1354794339 /nfs/dbraw/zinc/79/43/39/1354794339.db2.gz BMIFEFPHLBPFOU-QGZVFWFLSA-N 2 0 341.499 2.189 10 30 EEEERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1Cl ZINC001663007784 1354887363 /nfs/dbraw/zinc/88/73/63/1354887363.db2.gz DRDCLYFFWGZVFI-MRXNPFEDSA-N 2 0 347.890 2.272 10 30 EEEERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001665765871 1355385074 /nfs/dbraw/zinc/38/50/74/1355385074.db2.gz PHHSHXIIFOOAGD-QZTJIDSGSA-N 2 0 347.890 2.270 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001666151851 1355468479 /nfs/dbraw/zinc/46/84/79/1355468479.db2.gz KGYMGVPQGHEXIK-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001669328928 1356145983 /nfs/dbraw/zinc/14/59/83/1356145983.db2.gz UCOCNHOWIBXVDC-CRAIPNDOSA-N 2 0 347.890 2.270 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC#Cc1ccccc1 ZINC001672530954 1356546806 /nfs/dbraw/zinc/54/68/06/1356546806.db2.gz OPFLSYJJADWMOB-VQTJNVASSA-N 2 0 339.483 2.055 10 30 EEEERP C=C(Br)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001699265695 1405306442 /nfs/dbraw/zinc/30/64/42/1405306442.db2.gz SGBBUAAPJGJBMB-WSNITJDQSA-N 2 0 344.297 2.031 10 30 EEEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001699878718 1405546438 /nfs/dbraw/zinc/54/64/38/1405546438.db2.gz AEZOOJOBUCPPKV-FQEVSTJZSA-N 2 0 333.520 2.494 10 30 EEEERP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001438310190 1090787700 /nfs/dbraw/zinc/78/77/00/1090787700.db2.gz JELNBVGICPDOEA-HUUCEWRRSA-N 2 0 348.516 2.479 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001441849696 1095935663 /nfs/dbraw/zinc/93/56/63/1095935663.db2.gz MYJXOQCTMDKFQK-CRAIPNDOSA-N 2 0 328.460 2.025 10 30 EEEERP C=C(Br)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001444092921 1098624507 /nfs/dbraw/zinc/62/45/07/1098624507.db2.gz XVJOPZGDXSUQHR-UHFFFAOYSA-N 2 0 344.297 2.009 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccccc1C#N ZINC001479772746 1098944532 /nfs/dbraw/zinc/94/45/32/1098944532.db2.gz WLYACLFANHZRFH-LJQANCHMSA-N 2 0 342.487 2.369 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccsc2)CC1 ZINC001496239273 1100806690 /nfs/dbraw/zinc/80/66/90/1100806690.db2.gz QSPOKOOHDGHFLL-OAHLLOKOSA-N 2 0 333.501 2.030 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001495047533 1104685569 /nfs/dbraw/zinc/68/55/69/1104685569.db2.gz VPPNRZHMRPOXOP-IHPCNDPISA-N 2 0 341.499 2.253 10 30 EEEERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001495095963 1104734915 /nfs/dbraw/zinc/73/49/15/1104734915.db2.gz ZWVJLFMWEWEAQQ-RDJZCZTQSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)CCC=C)CC1 ZINC001493160623 1107615475 /nfs/dbraw/zinc/61/54/75/1107615475.db2.gz IUMZSSPSTWWCJM-MJGOQNOKSA-N 2 0 331.504 2.267 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CCC)CC1 ZINC001500054611 1112595273 /nfs/dbraw/zinc/59/52/73/1112595273.db2.gz RUXFSQASBJFGGT-IEBWSBKVSA-N 2 0 333.520 2.443 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CCC(=C)C)C2)CC1 ZINC001501093213 1113196598 /nfs/dbraw/zinc/19/65/98/1113196598.db2.gz XGSYKUQVNLNYTM-PKOBYXMFSA-N 2 0 331.504 2.124 10 30 EEEERP CC#CC[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001503763719 1113906837 /nfs/dbraw/zinc/90/68/37/1113906837.db2.gz GEIJSXWCJHHESU-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001506548513 1114690543 /nfs/dbraw/zinc/69/05/43/1114690543.db2.gz JKPNVRJBDXXOQC-QAPCUYQASA-N 2 0 325.472 2.097 10 30 EEEERP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001506741614 1114852958 /nfs/dbraw/zinc/85/29/58/1114852958.db2.gz IJHPMJPBNLMNCY-HOTGVXAUSA-N 2 0 327.488 2.459 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001506902867 1114961528 /nfs/dbraw/zinc/96/15/28/1114961528.db2.gz CEPGARAQWLSWRH-JCNLHEQBSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001507070678 1115092713 /nfs/dbraw/zinc/09/27/13/1115092713.db2.gz GXQRGNZJCPBJEE-ZIAGYGMSSA-N 2 0 346.313 2.204 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCc2cccs2)CC1 ZINC001507161811 1115141840 /nfs/dbraw/zinc/14/18/40/1115141840.db2.gz MVVZCODTHNAMIS-INIZCTEOSA-N 2 0 347.528 2.072 10 30 EEEERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001507352122 1115214841 /nfs/dbraw/zinc/21/48/41/1115214841.db2.gz WRQWJJOPIQNQLN-QUCCMNQESA-N 2 0 340.471 2.123 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001567892729 1124160199 /nfs/dbraw/zinc/16/01/99/1124160199.db2.gz LCQFJCRRSGDGMT-JKSUJKDBSA-N 2 0 339.443 2.426 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001568693229 1124706045 /nfs/dbraw/zinc/70/60/45/1124706045.db2.gz RLTJIKNBMKGBMM-LJQANCHMSA-N 2 0 341.499 2.254 10 30 EEEERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001569079835 1125085847 /nfs/dbraw/zinc/08/58/47/1125085847.db2.gz PFKNXRLZYPPJHT-HKUYNNGSSA-N 2 0 329.488 2.253 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527729865 467664211 /nfs/dbraw/zinc/66/42/11/467664211.db2.gz MOCOABCMISFQEX-SFHVURJKSA-N 2 0 334.508 2.343 10 30 EEEERP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1C#N ZINC000593323267 468938294 /nfs/dbraw/zinc/93/82/94/468938294.db2.gz SAAHAUORJUEMTD-ZHALLVOQSA-N 2 0 329.444 2.428 10 30 EEEERP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599358555 469225013 /nfs/dbraw/zinc/22/50/13/469225013.db2.gz FBWWKGKVMRLZKM-YQVWRLOYSA-N 2 0 349.519 2.300 10 30 EEEERP C=CC[C@]1(C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662873279 472286704 /nfs/dbraw/zinc/28/67/04/472286704.db2.gz VQPIKXFWSKODRH-PZJWPPBQSA-N 2 0 341.499 2.460 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1CC ZINC001670582066 1176925892 /nfs/dbraw/zinc/92/58/92/1176925892.db2.gz QCHZRQKCUQQFCK-ROUUACIJSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC[C@H](C)F)C2)CC1 ZINC001267114144 1178274068 /nfs/dbraw/zinc/27/40/68/1178274068.db2.gz BUPVKOYIYHZBFE-FUHWJXTLSA-N 2 0 337.483 2.003 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001691427973 1178322095 /nfs/dbraw/zinc/32/20/95/1178322095.db2.gz HIQJZJWTKOYOFS-BHIYHBOVSA-N 2 0 331.504 2.099 10 30 EEEERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC#Cc2ccccc2)C1 ZINC001691441347 1178633714 /nfs/dbraw/zinc/63/37/14/1178633714.db2.gz NVFIGFWQEOEEOI-HXUWFJFHSA-N 2 0 341.499 2.208 10 30 EEEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001267492836 1179168736 /nfs/dbraw/zinc/16/87/36/1179168736.db2.gz YFBWNXPUICBNDD-MJGOQNOKSA-N 2 0 333.520 2.489 10 30 EEEERP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001267858372 1180642230 /nfs/dbraw/zinc/64/22/30/1180642230.db2.gz QZTLBIYJPUAZHX-RBUKOAKNSA-N 2 0 337.483 2.097 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001481319791 1181025006 /nfs/dbraw/zinc/02/50/06/1181025006.db2.gz NZALZZNWGZNMRG-MRXNPFEDSA-N 2 0 345.462 2.280 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001268764730 1183680131 /nfs/dbraw/zinc/68/01/31/1183680131.db2.gz HSQZGGRXLQDJGG-GOEBONIOSA-N 2 0 333.501 2.321 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001269870929 1184682700 /nfs/dbraw/zinc/68/27/00/1184682700.db2.gz GVKIOPBDVUWEQD-IBGZPJMESA-N 2 0 331.504 2.102 10 30 EEEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001270024390 1184792721 /nfs/dbraw/zinc/79/27/21/1184792721.db2.gz CMNGACNTLXASQM-BXWFABGCSA-N 2 0 337.483 2.239 10 30 EEEERP C#CCC[NH+]1CCC(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001270158329 1184887664 /nfs/dbraw/zinc/88/76/64/1184887664.db2.gz RFWAKRVCFOSHLL-UHFFFAOYSA-N 2 0 333.520 2.494 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001270650841 1185266852 /nfs/dbraw/zinc/26/68/52/1185266852.db2.gz NLKXQSLVAKJLGL-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2C[NH2+]CC(C)C)CC1 ZINC001482500037 1186409342 /nfs/dbraw/zinc/40/93/42/1186409342.db2.gz GZIFDNJLWMPTSR-IEBWSBKVSA-N 2 0 333.520 2.204 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001482686075 1187654588 /nfs/dbraw/zinc/65/45/88/1187654588.db2.gz ZANAKSSYMZXAKB-HZPDHXFCSA-N 2 0 339.911 2.489 10 30 EEEERP CC[C@H](C(=O)N[C@H](C[NH2+]CC#Cc1ccc(F)cc1)C1CC1)[NH+](C)C ZINC001483568163 1190557057 /nfs/dbraw/zinc/55/70/57/1190557057.db2.gz ASOPKUXQSKKFFE-RTBURBONSA-N 2 0 345.462 2.002 10 30 EEEERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001272564544 1190880110 /nfs/dbraw/zinc/88/01/10/1190880110.db2.gz HGYZPYLXCAUWMN-LPHOPBHVSA-N 2 0 342.487 2.227 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483930159 1191122148 /nfs/dbraw/zinc/12/21/48/1191122148.db2.gz ZDOWCPBWHDUCDX-PKOBYXMFSA-N 2 0 331.504 2.245 10 30 EEEERP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001483946079 1191126914 /nfs/dbraw/zinc/12/69/14/1191126914.db2.gz AIATZSBFAMVKLM-OTWHNJEPSA-N 2 0 327.472 2.098 10 30 EEEERP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@H]2C1 ZINC001484410735 1191338192 /nfs/dbraw/zinc/33/81/92/1191338192.db2.gz MCVSJVVQDCQRCK-GBESFXJTSA-N 2 0 333.520 2.465 10 30 EEEERP C=CCCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001484822260 1191541148 /nfs/dbraw/zinc/54/11/48/1191541148.db2.gz DHERQOZJVCIUAV-IBGZPJMESA-N 2 0 329.488 2.447 10 30 EEEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001272692464 1191576843 /nfs/dbraw/zinc/57/68/43/1191576843.db2.gz VGJDTTLMUFKSCK-JXFKEZNVSA-N 2 0 339.483 2.319 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485076575 1191645153 /nfs/dbraw/zinc/64/51/53/1191645153.db2.gz JRHIOLQGWZSLNL-IBGZPJMESA-N 2 0 331.504 2.055 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCCCC)CC1 ZINC001485080972 1191650053 /nfs/dbraw/zinc/65/00/53/1191650053.db2.gz YUVXNRKPLLXUBI-LJQANCHMSA-N 2 0 333.520 2.445 10 30 EEEERP C[NH+](C)CCCC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001485100366 1191652073 /nfs/dbraw/zinc/65/20/73/1191652073.db2.gz BTMJBNATGONADW-UHFFFAOYSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001273204583 1197518818 /nfs/dbraw/zinc/51/88/18/1197518818.db2.gz LWBJBTXVYBNYRB-LKKYZFDUSA-N 2 0 346.302 2.135 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001275572055 1205423012 /nfs/dbraw/zinc/42/30/12/1205423012.db2.gz SUGLWJOFHWFKFV-SJORKVTESA-N 2 0 333.520 2.395 10 30 EEEERP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(c3ccc(C#N)cn3)CC1)[NH2+]2 ZINC000925607184 1206135153 /nfs/dbraw/zinc/13/51/53/1206135153.db2.gz AISGUGZHYKIPEB-RUGDWHBFSA-N 2 0 325.460 2.041 10 30 EEEERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)c(F)c1 ZINC000925852531 1206160980 /nfs/dbraw/zinc/16/09/80/1206160980.db2.gz CLZVCTOMLQJMIS-SWLSCSKDSA-N 2 0 331.391 2.033 10 30 EEEERP C=C(C)CC[NH2+]C1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001491365820 1259007132 /nfs/dbraw/zinc/00/71/32/1259007132.db2.gz IURPSFJJORXYBM-UHFFFAOYSA-N 2 0 347.507 2.042 10 30 EEEERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC#Cc1ccccc1Cl ZINC001491480479 1259124181 /nfs/dbraw/zinc/12/41/81/1259124181.db2.gz JQDWPAZSMMJVJU-OAHLLOKOSA-N 2 0 347.890 2.270 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]Cc2ccc(C)cc2)CC1 ZINC001273764265 1285108870 /nfs/dbraw/zinc/10/88/70/1285108870.db2.gz CLMYVYVVKIFOCS-UHFFFAOYSA-N 2 0 341.499 2.278 10 30 EEEERP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc(C#N)cc1 ZINC001490231702 1291046203 /nfs/dbraw/zinc/04/62/03/1291046203.db2.gz AXTJVZAQERPNBI-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP C[NH+](C)CCCCC(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001277223912 1301903780 /nfs/dbraw/zinc/90/37/80/1301903780.db2.gz AEHFPVDZLMWWEU-UHFFFAOYSA-N 2 0 327.472 2.008 10 30 EEEERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001491558153 1303520552 /nfs/dbraw/zinc/52/05/52/1303520552.db2.gz IWCTVVKLLARZRY-HUUCEWRRSA-N 2 0 348.516 2.336 10 30 EEEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCC1 ZINC001278289036 1309042525 /nfs/dbraw/zinc/04/25/25/1309042525.db2.gz NBABGZNVWWVKQG-RTBURBONSA-N 2 0 333.520 2.395 10 30 EEEERP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC001278667567 1317608377 /nfs/dbraw/zinc/60/83/77/1317608377.db2.gz RSAQXLGIFNXTJV-DNVCBOLYSA-N 2 0 337.483 2.049 10 30 EEEERP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001279204494 1318033071 /nfs/dbraw/zinc/03/30/71/1318033071.db2.gz NQPIQEOEMFKKPV-SJORKVTESA-N 2 0 345.487 2.442 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)CC1 ZINC001262571385 1322326699 /nfs/dbraw/zinc/32/66/99/1322326699.db2.gz TXAXUXVUWFPRDM-QGZVFWFLSA-N 2 0 334.508 2.330 10 30 EEEERP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001264448177 1322703924 /nfs/dbraw/zinc/70/39/24/1322703924.db2.gz UXTBTBGOTAAISA-VQTJNVASSA-N 2 0 341.499 2.326 10 30 EEEERP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001264579460 1322736691 /nfs/dbraw/zinc/73/66/91/1322736691.db2.gz VJIPIARPYQGKAG-GGPKGHCWSA-N 2 0 331.504 2.102 10 30 EEEERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001265000756 1322846476 /nfs/dbraw/zinc/84/64/76/1322846476.db2.gz CMGYEGCQHHFKBI-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C=CCC[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)c(F)c1 ZINC001279716842 1323985203 /nfs/dbraw/zinc/98/52/03/1323985203.db2.gz YMTXMKKHOHPHNO-UHFFFAOYSA-N 2 0 333.451 2.449 10 30 EEEERP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001280332843 1324159896 /nfs/dbraw/zinc/15/98/96/1324159896.db2.gz BHNZDTIKWCBSJA-KRWDZBQOSA-N 2 0 327.472 2.100 10 30 EEEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001280833395 1324553196 /nfs/dbraw/zinc/55/31/96/1324553196.db2.gz YCNPDTMOTCBZRI-UHFFFAOYSA-N 2 0 327.432 2.237 10 30 EEEERP C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282220030 1325654788 /nfs/dbraw/zinc/65/47/88/1325654788.db2.gz NPEFUNIQMDUJOT-ZWKOTPCHSA-N 2 0 329.488 2.253 10 30 EEEERP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001282957984 1325853251 /nfs/dbraw/zinc/85/32/51/1325853251.db2.gz JWJQEPJGYQMVHS-OTWHNJEPSA-N 2 0 331.504 2.102 10 30 EEEERP C#CCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001284072697 1326394039 /nfs/dbraw/zinc/39/40/39/1326394039.db2.gz UDBSWBLCQZKOKR-ICSRJNTNSA-N 2 0 331.504 2.389 10 30 EEEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001284686030 1326666546 /nfs/dbraw/zinc/66/65/46/1326666546.db2.gz FSIGJVRXFJRVPA-MRXNPFEDSA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001317811910 1332417149 /nfs/dbraw/zinc/41/71/49/1332417149.db2.gz SEGGNMRYPZYOSW-ZWKOTPCHSA-N 2 0 333.520 2.206 10 30 EEEERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001318603137 1332566467 /nfs/dbraw/zinc/56/64/67/1332566467.db2.gz OGUVTBZURNEXEU-AEFFLSMTSA-N 2 0 347.890 2.128 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001318841807 1332608770 /nfs/dbraw/zinc/60/87/70/1332608770.db2.gz FQQPKCHOCIGJRX-MOPGFXCFSA-N 2 0 333.520 2.491 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001320642810 1332927361 /nfs/dbraw/zinc/92/73/61/1332927361.db2.gz BCMVPMQJKQYYLG-LPHOPBHVSA-N 2 0 342.487 2.417 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001321188468 1333040220 /nfs/dbraw/zinc/04/02/20/1333040220.db2.gz HPSHDJKQYNRRTM-ZMUQKWFASA-N 2 0 345.874 2.048 10 30 EEEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)c2cc(CN(C)C)on2)CC1 ZINC001323733086 1333526747 /nfs/dbraw/zinc/52/67/47/1333526747.db2.gz BYSDYZUWLAOULG-UHFFFAOYSA-N 2 0 346.475 2.239 10 30 EEEERP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001324432546 1333682192 /nfs/dbraw/zinc/68/21/92/1333682192.db2.gz XZKMRQLDPLUWHY-LWAXHKBTSA-N 2 0 337.895 2.007 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC[NH2+]CC=C)Cc2ccccc2)CC1 ZINC001325707599 1333944647 /nfs/dbraw/zinc/94/46/47/1333944647.db2.gz CZIZRYFFUQEJGH-UHFFFAOYSA-N 2 0 339.483 2.136 10 30 EEEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)O2 ZINC001327359347 1334275800 /nfs/dbraw/zinc/27/58/00/1334275800.db2.gz NGULTGAGCWHWIQ-SJLPKXTDSA-N 2 0 349.519 2.175 10 30 EEEERP C#CCC[N@H+]1Cc2ccc(CNC(=O)CCCC[NH+](C)C)cc2C1 ZINC001327695999 1334336245 /nfs/dbraw/zinc/33/62/45/1334336245.db2.gz NAATYBMQCLMRGR-UHFFFAOYSA-N 2 0 327.472 2.374 10 30 EEEERP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001328805250 1334524921 /nfs/dbraw/zinc/52/49/21/1334524921.db2.gz DRGVIJZEYWKZRG-MOPGFXCFSA-N 2 0 333.520 2.302 10 30 EEEERP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001333139868 1335969847 /nfs/dbraw/zinc/96/98/47/1335969847.db2.gz FCPXLLKNYHJBSA-UHFFFAOYSA-N 2 0 341.499 2.349 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(F)c1 ZINC001333471636 1336054735 /nfs/dbraw/zinc/05/47/35/1336054735.db2.gz OQXAJKJSDGQCBM-LJQANCHMSA-N 2 0 345.462 2.428 10 30 EEEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001618814450 1352353933 /nfs/dbraw/zinc/35/39/33/1352353933.db2.gz XBUCVLJUSHHQJI-MOPGFXCFSA-N 2 0 329.488 2.298 10 30 EEEERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC001502754349 1342229289 /nfs/dbraw/zinc/22/92/89/1342229289.db2.gz PCRMLMULAHVLAE-ICSRJNTNSA-N 2 0 341.499 2.207 10 30 EEEERP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001567185260 1342707331 /nfs/dbraw/zinc/70/73/31/1342707331.db2.gz SOSWETMGNZXPCO-QGZVFWFLSA-N 2 0 335.879 2.139 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CCCC=C)C2)CC1 ZINC001569694840 1342925326 /nfs/dbraw/zinc/92/53/26/1342925326.db2.gz ZRGSVTPGUMSWGW-FQEVSTJZSA-N 2 0 331.504 2.126 10 30 EEEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001569706164 1342927381 /nfs/dbraw/zinc/92/73/81/1342927381.db2.gz BMCFGEVYQLYMPW-QZTJIDSGSA-N 2 0 331.504 2.245 10 30 EEEERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001570002708 1342995616 /nfs/dbraw/zinc/99/56/16/1342995616.db2.gz RVKWQGDGNSGICO-OALUTQOASA-N 2 0 342.487 2.227 10 30 EEEERP CC[C@@H](C(=O)N(C)CCC[N@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001570216006 1343033339 /nfs/dbraw/zinc/03/33/39/1343033339.db2.gz RJVMPYQYTHMILS-IBGZPJMESA-N 2 0 347.478 2.298 10 30 EEEERP C[C@@H](CC(=O)NCCC[N@H+](C)Cc1ccccc1C#N)n1ccnc1 ZINC001660318385 1354438795 /nfs/dbraw/zinc/43/87/95/1354438795.db2.gz UYSOMXIOPQGBKL-INIZCTEOSA-N 2 0 339.443 2.344 10 30 EEEERP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001661079289 1354587708 /nfs/dbraw/zinc/58/77/08/1354587708.db2.gz XCTFALWCMUWLTF-OALUTQOASA-N 2 0 345.531 2.491 10 30 EEEERP CC#CC[N@H+](CCNC(=O)c1ccccc1CC[NH+](C)C)C1CC1 ZINC001663743614 1355025983 /nfs/dbraw/zinc/02/59/83/1355025983.db2.gz CLOOLBBXUSKFDG-UHFFFAOYSA-N 2 0 327.472 2.008 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](CC(=C)C)C2)CC1 ZINC001664687861 1355212480 /nfs/dbraw/zinc/21/24/80/1355212480.db2.gz YEBWNQILLLBBGJ-IBGZPJMESA-N 2 0 331.504 2.221 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001664859830 1355244892 /nfs/dbraw/zinc/24/48/92/1355244892.db2.gz XMHPGQBHBIIRIK-OALUTQOASA-N 2 0 333.520 2.301 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001667750908 1355805488 /nfs/dbraw/zinc/80/54/88/1355805488.db2.gz FLTJQMHMIBJDJT-UXHICEINSA-N 2 0 341.499 2.302 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001668059193 1355858733 /nfs/dbraw/zinc/85/87/33/1355858733.db2.gz BSURSCDBZAHGLE-QFBILLFUSA-N 2 0 342.487 2.415 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1CC ZINC001672182830 1356474894 /nfs/dbraw/zinc/47/48/94/1356474894.db2.gz KFRDOJTUIGJBFN-IBGZPJMESA-N 2 0 339.483 2.115 10 30 EEEERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC#Cc3ccccc3)CCC2)C1 ZINC001673230134 1356656149 /nfs/dbraw/zinc/65/61/49/1356656149.db2.gz JIHQLVOOWSYYDA-IBGZPJMESA-N 2 0 339.483 2.008 10 30 EEEERP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C[C@@H]2C1 ZINC001675643604 1357027755 /nfs/dbraw/zinc/02/77/55/1357027755.db2.gz UMOLHYOAKYLTIH-IPMKNSEASA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccsc3)C2)CC1 ZINC000939810781 777427680 /nfs/dbraw/zinc/42/76/80/777427680.db2.gz PGGLENLRYXGFLD-QAPCUYQASA-N 2 0 345.512 2.030 10 30 EEEERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(C#N)c3)cn2)CC1 ZINC000061020366 790971509 /nfs/dbraw/zinc/97/15/09/790971509.db2.gz MZBLRGNCLNTQEH-UHFFFAOYSA-N 2 0 335.455 2.385 10 30 EEEERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001436932106 1088601558 /nfs/dbraw/zinc/60/15/58/1088601558.db2.gz OOZKMBZYIRFYSO-GOOCMWNKSA-N 2 0 346.500 2.183 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001437010949 1088787213 /nfs/dbraw/zinc/78/72/13/1088787213.db2.gz NPWZEIDAICRTIS-OWCLPIDISA-N 2 0 327.900 2.297 10 30 EEEERP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438677290 1091171247 /nfs/dbraw/zinc/17/12/47/1091171247.db2.gz NRXAKLYETJLUST-AWEZNQCLSA-N 2 0 348.516 2.431 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001439286326 1091946656 /nfs/dbraw/zinc/94/66/56/1091946656.db2.gz SXQAEGLSFUUOMA-YJBOKZPZSA-N 2 0 328.460 2.027 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C ZINC001446173427 1092234170 /nfs/dbraw/zinc/23/41/70/1092234170.db2.gz QEZJULLNDQGZHD-JKSUJKDBSA-N 2 0 346.500 2.088 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001440134676 1093200472 /nfs/dbraw/zinc/20/04/72/1093200472.db2.gz JSSIJKNCCMXFQN-GOEBONIOSA-N 2 0 327.900 2.155 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001440223465 1093304191 /nfs/dbraw/zinc/30/41/91/1093304191.db2.gz ZLZIIIJRYUQCGO-RUCARUNLSA-N 2 0 342.487 2.275 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC(C)([NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001440607808 1093872886 /nfs/dbraw/zinc/87/28/86/1093872886.db2.gz ABOIUVRZUMEBFF-UHFFFAOYSA-N 2 0 346.450 2.120 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001441849678 1095935697 /nfs/dbraw/zinc/93/56/97/1095935697.db2.gz MYJHQASNUFWBCQ-XJKSGUPXSA-N 2 0 334.489 2.087 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001480458390 1100263026 /nfs/dbraw/zinc/26/30/26/1100263026.db2.gz DDRUYBCSUBSFFN-KBXCAEBGSA-N 2 0 346.450 2.164 10 30 EEEERP C=CCOCC[NH2+]CC[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001495358457 1101072245 /nfs/dbraw/zinc/07/22/45/1101072245.db2.gz FIFNKZURJCDKSI-GOSISDBHSA-N 2 0 349.519 2.036 10 30 EEEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001495423155 1101141522 /nfs/dbraw/zinc/14/15/22/1101141522.db2.gz YQHSHMBFHQOHSO-LJQANCHMSA-N 2 0 333.520 2.348 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496146541 1102134643 /nfs/dbraw/zinc/13/46/43/1102134643.db2.gz YFAGVMTWHSBUSR-BJLQDIEVSA-N 2 0 341.499 2.205 10 30 EEEERP C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498146793 1106984585 /nfs/dbraw/zinc/98/45/85/1106984585.db2.gz SLFKOEITQBJICB-HNNXBMFYSA-N 2 0 346.450 2.024 10 30 EEEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001493851564 1108737405 /nfs/dbraw/zinc/73/74/05/1108737405.db2.gz VONLDIXPDHMTHT-MJGOQNOKSA-N 2 0 333.520 2.347 10 30 EEEERP C=CC[N@@H+](C)CCN(CC)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460034273 1110253667 /nfs/dbraw/zinc/25/36/67/1110253667.db2.gz ZLMHKAAJSXUZCE-HXUWFJFHSA-N 2 0 331.504 2.063 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC/C=C\CC)C2)CC1 ZINC001479349211 1110684653 /nfs/dbraw/zinc/68/46/53/1110684653.db2.gz YTYCDYALGMDLIM-IEBZYFLXSA-N 2 0 331.504 2.172 10 30 EEEERP C=C(Cl)C[N@@H+](CCOC)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001499538776 1112352783 /nfs/dbraw/zinc/35/27/83/1112352783.db2.gz NLFBJACSURTZNO-UHFFFAOYSA-N 2 0 345.915 2.019 10 30 EEEERP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)CCN1C(=O)CC[NH+](C)C ZINC001499844364 1112509958 /nfs/dbraw/zinc/50/99/58/1112509958.db2.gz MXRRISRRCMSMMA-YOEHRIQHSA-N 2 0 346.450 2.118 10 30 EEEERP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001502404748 1113669664 /nfs/dbraw/zinc/66/96/64/1113669664.db2.gz MQXNILBZZQCRQN-RTBURBONSA-N 2 0 333.520 2.302 10 30 EEEERP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001502985901 1113867075 /nfs/dbraw/zinc/86/70/75/1113867075.db2.gz IQLMPBYKRDCFFQ-DLBZAZTESA-N 2 0 339.524 2.136 10 30 EEEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001507027747 1115065395 /nfs/dbraw/zinc/06/53/95/1115065395.db2.gz LFCJLYSBWNXAOF-QFBILLFUSA-N 2 0 337.483 2.049 10 30 EEEERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001507352120 1115215391 /nfs/dbraw/zinc/21/53/91/1115215391.db2.gz WRQWJJOPIQNQLN-ICSRJNTNSA-N 2 0 340.471 2.123 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C(=O)CCC[NH+](C)C ZINC001568294825 1124409310 /nfs/dbraw/zinc/40/93/10/1124409310.db2.gz IRFGRNYYDCTVOA-MRXNPFEDSA-N 2 0 349.906 2.470 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568643142 1124656446 /nfs/dbraw/zinc/65/64/46/1124656446.db2.gz XLYCPOQDKMJCEW-QFBILLFUSA-N 2 0 342.487 2.417 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568664425 1124678223 /nfs/dbraw/zinc/67/82/23/1124678223.db2.gz NAYBNSFWOZUQBS-MRXNPFEDSA-N 2 0 342.487 2.417 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCC=C)CC1 ZINC001569176202 1125146608 /nfs/dbraw/zinc/14/66/08/1125146608.db2.gz ZHVDEVWQNALRJL-OALUTQOASA-N 2 0 331.504 2.172 10 30 EEEERP O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000330098966 539787729 /nfs/dbraw/zinc/78/77/29/539787729.db2.gz CMVMPRSXYIAHCQ-DNVCBOLYSA-N 2 0 335.492 2.197 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000247597917 464697346 /nfs/dbraw/zinc/69/73/46/464697346.db2.gz SWIVOBUZYNCXGX-ROUUACIJSA-N 2 0 334.508 2.175 10 30 EEEERP C=CCOc1ccccc1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415132774 467498087 /nfs/dbraw/zinc/49/80/87/467498087.db2.gz ULRMESHSWCUGLL-QGZVFWFLSA-N 2 0 327.432 2.139 10 30 EEEERP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594440725 468588787 /nfs/dbraw/zinc/58/87/87/468588787.db2.gz IDTDJHWBWGAOCS-LJQANCHMSA-N 2 0 342.487 2.441 10 30 EEEERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594443202 468590729 /nfs/dbraw/zinc/59/07/29/468590729.db2.gz AKJSDGZFBLVPFM-QGZVFWFLSA-N 2 0 334.439 2.127 10 30 EEEERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595944688 469094467 /nfs/dbraw/zinc/09/44/67/469094467.db2.gz IVWLWQQQJNXXNM-MOPGFXCFSA-N 2 0 342.487 2.173 10 30 EEEERP C=CC[C@]1(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CCC[NH2+]1 ZINC000662663135 472193813 /nfs/dbraw/zinc/19/38/13/472193813.db2.gz LQULSDPADZETFS-PKOBYXMFSA-N 2 0 331.460 2.112 10 30 EEEERP C=CC[C@]1(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000662794803 472255019 /nfs/dbraw/zinc/25/50/19/472255019.db2.gz UBUNEKXWQDHVNN-XKGZKEIXSA-N 2 0 327.472 2.321 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C(C)C ZINC000173927474 527644928 /nfs/dbraw/zinc/64/49/28/527644928.db2.gz LKWZPHAYUADPRN-MOPGFXCFSA-N 2 0 346.519 2.341 10 30 EEEERP C#CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001485778415 1191934709 /nfs/dbraw/zinc/93/47/09/1191934709.db2.gz FPOBPSFEPYOVMD-MOPGFXCFSA-N 2 0 327.472 2.331 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C/C=C/c2ccccc2)CC1 ZINC001691000394 1176472426 /nfs/dbraw/zinc/47/24/26/1176472426.db2.gz FNBVAOWGSYIUSS-JXMROGBWSA-N 2 0 339.483 2.093 10 30 EEEERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001266947339 1177870151 /nfs/dbraw/zinc/87/01/51/1177870151.db2.gz GCIYESNSIBGJOP-WMLDXEAASA-N 2 0 335.879 2.126 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH2+]CCC)CC1 ZINC001691308968 1177879379 /nfs/dbraw/zinc/87/93/79/1177879379.db2.gz JCPSPABBBXJDJF-MJGOQNOKSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(C)CC[N@H+](CC)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001267244513 1178601584 /nfs/dbraw/zinc/60/15/84/1178601584.db2.gz GJNGJQDITLCYSH-UHFFFAOYSA-N 2 0 327.432 2.285 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2ccnc2)CC[C@H]1C(F)(F)F ZINC001691445875 1178830953 /nfs/dbraw/zinc/83/09/53/1178830953.db2.gz MRIDMVWNSUCFRD-ZIAGYGMSSA-N 2 0 344.381 2.076 10 30 EEEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001267492834 1179168889 /nfs/dbraw/zinc/16/88/89/1179168889.db2.gz YFBWNXPUICBNDD-IEBWSBKVSA-N 2 0 333.520 2.489 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001481526560 1181647140 /nfs/dbraw/zinc/64/71/40/1181647140.db2.gz MODLWGTZKPOKLZ-QRVBRYPASA-N 2 0 333.520 2.347 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001268132827 1181786523 /nfs/dbraw/zinc/78/65/23/1181786523.db2.gz PRHQCARONKIGLL-MSOLQXFVSA-N 2 0 333.520 2.348 10 30 EEEERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001268958239 1183850551 /nfs/dbraw/zinc/85/05/51/1183850551.db2.gz JCGSABRYQDLCNJ-OALUTQOASA-N 2 0 341.499 2.349 10 30 EEEERP CC#CC[NH+]1CCC(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001270144855 1184882346 /nfs/dbraw/zinc/88/23/46/1184882346.db2.gz YFOCTQXBSDKOLT-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001270296615 1184996841 /nfs/dbraw/zinc/99/68/41/1184996841.db2.gz RNSJVLOTPLTKFK-SFHVURJKSA-N 2 0 333.520 2.443 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001270663942 1185283794 /nfs/dbraw/zinc/28/37/94/1185283794.db2.gz BMTHGRJVPFXPSL-IAGOWNOFSA-N 2 0 337.508 2.033 10 30 EEEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001270796036 1185391415 /nfs/dbraw/zinc/39/14/15/1185391415.db2.gz CFMIJWJQHROMOR-DYXWJJEUSA-N 2 0 341.499 2.346 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001482367935 1185528398 /nfs/dbraw/zinc/52/83/98/1185528398.db2.gz CINWNEQIXYJSGS-UYAOXDASSA-N 2 0 341.499 2.349 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001482370222 1185535601 /nfs/dbraw/zinc/53/56/01/1185535601.db2.gz TUANJMPCBPEDLB-VQIMIIECSA-N 2 0 342.487 2.369 10 30 EEEERP C[C@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001482474068 1186011841 /nfs/dbraw/zinc/01/18/41/1186011841.db2.gz BMVYHZWZBYQYKL-AZUAARDMSA-N 2 0 341.499 2.207 10 30 EEEERP C#CCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001271341527 1186150182 /nfs/dbraw/zinc/15/01/82/1186150182.db2.gz QZSKGGHDZVSZMO-GOSISDBHSA-N 2 0 331.504 2.293 10 30 EEEERP CC[N@H+](C)CCC(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)C(C)C ZINC001271914586 1186618147 /nfs/dbraw/zinc/61/81/47/1186618147.db2.gz CCSREXYDJJNTEH-LJQANCHMSA-N 2 0 329.488 2.110 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001272773080 1193490923 /nfs/dbraw/zinc/49/09/23/1193490923.db2.gz JDSXZFMVANDVNC-ZIAGYGMSSA-N 2 0 346.313 2.252 10 30 EEEERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001272865799 1193583466 /nfs/dbraw/zinc/58/34/66/1193583466.db2.gz NRGHJBNNUPIDEQ-CXAGYDPISA-N 2 0 334.439 2.022 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC001486084830 1193677299 /nfs/dbraw/zinc/67/72/99/1193677299.db2.gz OKFMYDHQWVWDSO-NVXWUHKLSA-N 2 0 339.443 2.426 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CC2CC2)CC1 ZINC001483988285 1191144002 /nfs/dbraw/zinc/14/40/02/1191144002.db2.gz VTXGDSLVUZSPFU-AZUAARDMSA-N 2 0 343.515 2.340 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001485059857 1191639049 /nfs/dbraw/zinc/63/90/49/1191639049.db2.gz DQCAWRURPRCQQC-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485229896 1191699002 /nfs/dbraw/zinc/69/90/02/1191699002.db2.gz NMEMDEUPDAOCEN-UONOGXRCSA-N 2 0 334.439 2.020 10 30 EEEERP C[NH+](C)C1(C)CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000872229107 1198098764 /nfs/dbraw/zinc/09/87/64/1198098764.db2.gz NHWRNPKNWXMXJT-UHFFFAOYSA-N 2 0 349.500 2.184 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC/C=C\CC)CC1 ZINC001273428118 1198810154 /nfs/dbraw/zinc/81/01/54/1198810154.db2.gz MVRPZSKBUXOBPT-WYNBNGFRSA-N 2 0 331.504 2.411 10 30 EEEERP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810633764 1199635499 /nfs/dbraw/zinc/63/54/99/1199635499.db2.gz LZKJBZFFUVJCFK-YJBOKZPZSA-N 2 0 326.456 2.476 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000876741266 1199750408 /nfs/dbraw/zinc/75/04/08/1199750408.db2.gz PIWIFTDXGQMMQD-JKSUJKDBSA-N 2 0 327.900 2.427 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000876898234 1199811245 /nfs/dbraw/zinc/81/12/45/1199811245.db2.gz PWOFRVOKBGLXMJ-BBRMVZONSA-N 2 0 336.867 2.193 10 30 EEEERP C=CCCC[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000880388161 1201476566 /nfs/dbraw/zinc/47/65/66/1201476566.db2.gz ISLFWHPXOILECQ-WOJBJXKFSA-N 2 0 331.504 2.282 10 30 EEEERP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001275185463 1205277601 /nfs/dbraw/zinc/27/76/01/1205277601.db2.gz YJSXFLSZWURLLW-VQTJNVASSA-N 2 0 345.531 2.446 10 30 EEEERP C[NH+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001491361225 1259000450 /nfs/dbraw/zinc/00/04/50/1259000450.db2.gz OQEBBPVTMWSLMZ-UHFFFAOYSA-N 2 0 328.460 2.027 10 30 EEEERP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001489001125 1290324461 /nfs/dbraw/zinc/32/44/61/1290324461.db2.gz OTNJDOVHNKXPMH-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001276921095 1300269778 /nfs/dbraw/zinc/26/97/78/1300269778.db2.gz HJUFVCRLQLIHIC-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001277299336 1302259374 /nfs/dbraw/zinc/25/93/74/1302259374.db2.gz QIHGMOWZKQTIFK-DLBZAZTESA-N 2 0 342.487 2.275 10 30 EEEERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001277921481 1305109107 /nfs/dbraw/zinc/10/91/07/1305109107.db2.gz GWJZYUGJRSQZRF-HNNXBMFYSA-N 2 0 335.879 2.080 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@@]1(C)CCN(CC#Cc2ccc(F)cc2)C1 ZINC001278437838 1310265547 /nfs/dbraw/zinc/26/55/47/1310265547.db2.gz JEGGBPIOUNXNJP-FQEVSTJZSA-N 2 0 345.462 2.100 10 30 EEEERP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001278964886 1318857071 /nfs/dbraw/zinc/85/70/71/1318857071.db2.gz ZOPMHTFSTDDXGI-LJQANCHMSA-N 2 0 333.520 2.302 10 30 EEEERP Cc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ncc1C#N ZINC001162307928 1320817290 /nfs/dbraw/zinc/81/72/90/1320817290.db2.gz HUGJOFYMATUTKV-UHFFFAOYSA-N 2 0 336.443 2.281 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001264185620 1322654097 /nfs/dbraw/zinc/65/40/97/1322654097.db2.gz FUGYLPXACQVAMS-IBGZPJMESA-N 2 0 327.472 2.308 10 30 EEEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001264566679 1322734000 /nfs/dbraw/zinc/73/40/00/1322734000.db2.gz DGTYDYYQAVPNKR-APWZRJJASA-N 2 0 327.472 2.212 10 30 EEEERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001265061639 1322900260 /nfs/dbraw/zinc/90/02/60/1322900260.db2.gz YVNNPUVFVRYVGT-IBGZPJMESA-N 2 0 329.488 2.062 10 30 EEEERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001265813480 1323394721 /nfs/dbraw/zinc/39/47/21/1323394721.db2.gz RURPHAATCXKYEP-ICSRJNTNSA-N 2 0 341.499 2.254 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265910876 1323478907 /nfs/dbraw/zinc/47/89/07/1323478907.db2.gz SSZSOIVQZVETLW-PMACEKPBSA-N 2 0 339.483 2.103 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001266040502 1323590445 /nfs/dbraw/zinc/59/04/45/1323590445.db2.gz LTLHOXCSMOPQMF-INIZCTEOSA-N 2 0 327.900 2.443 10 30 EEEERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266155750 1323725008 /nfs/dbraw/zinc/72/50/08/1323725008.db2.gz QHWUZWPMAUOKSQ-QFBILLFUSA-N 2 0 345.462 2.146 10 30 EEEERP CC#CC[NH+]1CCC(C2(NC(=O)[C@H](F)C[NH+](CC)CC)CC2)CC1 ZINC001279360753 1323885414 /nfs/dbraw/zinc/88/54/14/1323885414.db2.gz XPRLFCDJLWCWFA-QGZVFWFLSA-N 2 0 337.483 2.050 10 30 EEEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001316659733 1329875317 /nfs/dbraw/zinc/87/53/17/1329875317.db2.gz CMUONVFWBQHLJA-FCEWJHQRSA-N 2 0 337.483 2.097 10 30 EEEERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001492128394 1330981420 /nfs/dbraw/zinc/98/14/20/1330981420.db2.gz RXTVCOGDNWVYJA-WBVHZDCISA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317041339 1332056355 /nfs/dbraw/zinc/05/63/55/1332056355.db2.gz VAFQOGKSQPZCBE-ICSRJNTNSA-N 2 0 341.499 2.483 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001317295412 1332168129 /nfs/dbraw/zinc/16/81/29/1332168129.db2.gz XUCDFKUBLYLRMQ-KRWDZBQOSA-N 2 0 331.504 2.316 10 30 EEEERP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001317433854 1332238201 /nfs/dbraw/zinc/23/82/01/1332238201.db2.gz FUCUVFZHTHALCM-MRXNPFEDSA-N 2 0 327.900 2.442 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC([C@H](C)[NH2+]CC(C)C)CC2)CC1 ZINC001317684408 1332371055 /nfs/dbraw/zinc/37/10/55/1332371055.db2.gz RINUACIMCSQZDM-KRWDZBQOSA-N 2 0 333.520 2.204 10 30 EEEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001318416380 1332529193 /nfs/dbraw/zinc/52/91/93/1332529193.db2.gz NUFAQTMBZDWFTC-QGZVFWFLSA-N 2 0 339.443 2.380 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001318841810 1332608658 /nfs/dbraw/zinc/60/86/58/1332608658.db2.gz FQQPKCHOCIGJRX-RBUKOAKNSA-N 2 0 333.520 2.491 10 30 EEEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001319111735 1332650892 /nfs/dbraw/zinc/65/08/92/1332650892.db2.gz MLYUVCWBMCBOAK-CRAIPNDOSA-N 2 0 325.472 2.356 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCCC=C)CC1 ZINC001324420108 1333678835 /nfs/dbraw/zinc/67/88/35/1333678835.db2.gz MJIFXYFZNKNTLT-UHFFFAOYSA-N 2 0 331.504 2.221 10 30 EEEERP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001324432037 1333681373 /nfs/dbraw/zinc/68/13/73/1333681373.db2.gz NZBASBFKRUNELR-ICSRJNTNSA-N 2 0 343.515 2.056 10 30 EEEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001324974953 1333800250 /nfs/dbraw/zinc/80/02/50/1333800250.db2.gz CQXXVCDXMDCYMJ-UYAOXDASSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH2+]C1(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CCC1 ZINC001326888758 1334177219 /nfs/dbraw/zinc/17/72/19/1334177219.db2.gz AYIYWLZKAVYPAI-UHFFFAOYSA-N 2 0 327.472 2.056 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001327142717 1334232423 /nfs/dbraw/zinc/23/24/23/1334232423.db2.gz KDKKEZZNARISJJ-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccccc1C#N ZINC001327940505 1334366971 /nfs/dbraw/zinc/36/69/71/1334366971.db2.gz NRXQSMSYIHWRQX-APWZRJJASA-N 2 0 342.487 2.227 10 30 EEEERP C=CC[NH+](C)C1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001331054570 1334954357 /nfs/dbraw/zinc/95/43/57/1334954357.db2.gz UQOGGIRCOIMCDP-UHFFFAOYSA-N 2 0 329.488 2.270 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001332812191 1335912010 /nfs/dbraw/zinc/91/20/10/1335912010.db2.gz ZENFADBFUYQQMX-SJLPKXTDSA-N 2 0 333.520 2.395 10 30 EEEERP C#CCC[N@H+]1Cc2ccc(CNC(=O)C3([NH+](C)C)CCC3)cc2C1 ZINC001502650749 1342221260 /nfs/dbraw/zinc/22/12/60/1342221260.db2.gz MHVJIFXUFCOMNA-UHFFFAOYSA-N 2 0 325.456 2.126 10 30 EEEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001566740210 1342619584 /nfs/dbraw/zinc/61/95/84/1342619584.db2.gz SENMZSDOOIYPAW-PKOBYXMFSA-N 2 0 333.520 2.465 10 30 EEEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567743098 1342831209 /nfs/dbraw/zinc/83/12/09/1342831209.db2.gz UYHUOHAWWLCOOX-GOSISDBHSA-N 2 0 333.520 2.465 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001571307481 1343176558 /nfs/dbraw/zinc/17/65/58/1343176558.db2.gz DBCUOWWCRBXSBL-LSDHHAIUSA-N 2 0 348.516 2.336 10 30 EEEERP CC#CC[NH+]1CCC(C2(NC(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001571670673 1343268511 /nfs/dbraw/zinc/26/85/11/1343268511.db2.gz WLFJBHMZALQNIR-UHFFFAOYSA-N 2 0 331.504 2.247 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001667750550 1355806094 /nfs/dbraw/zinc/80/60/94/1355806094.db2.gz CWRBEELJLBWVGO-PMACEKPBSA-N 2 0 341.499 2.059 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001669482183 1356165194 /nfs/dbraw/zinc/16/51/94/1356165194.db2.gz GXZYOEVPLQBFDL-GOSISDBHSA-N 2 0 327.472 2.008 10 30 EEEERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001669661305 1356191327 /nfs/dbraw/zinc/19/13/27/1356191327.db2.gz AJGVXCADTDVSEE-QFBILLFUSA-N 2 0 347.478 2.392 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001669930538 1356242281 /nfs/dbraw/zinc/24/22/81/1356242281.db2.gz OJLLFVBKZLFVEP-QZTJIDSGSA-N 2 0 335.536 2.450 10 30 EEEERP C#CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC[NH+](CC=C)CC1 ZINC001671497192 1356350507 /nfs/dbraw/zinc/35/05/07/1356350507.db2.gz NSERWQYZCKPJHJ-GOSISDBHSA-N 2 0 331.504 2.363 10 30 EEEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001671794883 1356416288 /nfs/dbraw/zinc/41/62/88/1356416288.db2.gz HZXYSLJDIPDSPF-HXUWFJFHSA-N 2 0 327.472 2.213 10 30 EEEERP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001671972724 1356447518 /nfs/dbraw/zinc/44/75/18/1356447518.db2.gz WKOBTAJVEIRGTO-OAHLLOKOSA-N 2 0 331.451 2.366 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001672369374 1356510375 /nfs/dbraw/zinc/51/03/75/1356510375.db2.gz UHPJOUUJJSIQRD-QAQDUYKDSA-N 2 0 338.455 2.402 10 30 EEEERP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001673646601 1356725957 /nfs/dbraw/zinc/72/59/57/1356725957.db2.gz YQDQWWNZDABAET-HXUWFJFHSA-N 2 0 345.531 2.446 10 30 EEEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001675327992 1356965936 /nfs/dbraw/zinc/96/59/36/1356965936.db2.gz ZQGWMHKRDHDSBC-OAHLLOKOSA-N 2 0 339.443 2.284 10 30 EEEERP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691839707 1404949816 /nfs/dbraw/zinc/94/98/16/1404949816.db2.gz KHCMDWIFJBWYAS-ZWKOTPCHSA-N 2 0 327.472 2.241 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001691962036 1404970255 /nfs/dbraw/zinc/97/02/55/1404970255.db2.gz WMEIIAFBYOKIMX-OALUTQOASA-N 2 0 345.531 2.445 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001699403196 1405347551 /nfs/dbraw/zinc/34/75/51/1405347551.db2.gz MZVZEMHZBFXFAI-QFBILLFUSA-N 2 0 345.462 2.144 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940832275 779378037 /nfs/dbraw/zinc/37/80/37/779378037.db2.gz WPAHSJFXXJLTLF-KRWDZBQOSA-N 2 0 331.504 2.102 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075404 779795219 /nfs/dbraw/zinc/79/52/19/779795219.db2.gz KMYWNOHNQYZARX-MSOLQXFVSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076618 779796820 /nfs/dbraw/zinc/79/68/20/779796820.db2.gz YRQRXWXGQPLVLI-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000923294638 789327160 /nfs/dbraw/zinc/32/71/60/789327160.db2.gz KZFTZOUIZHQVFL-KRWDZBQOSA-N 2 0 346.519 2.132 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001565941893 1125468404 /nfs/dbraw/zinc/46/84/04/1125468404.db2.gz RNUYHEQDHUWVAO-RBUKOAKNSA-N 2 0 333.520 2.348 10 30 EEEERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445615011 1091410007 /nfs/dbraw/zinc/41/00/07/1091410007.db2.gz VVIKWMKILSYNJZ-QFBILLFUSA-N 2 0 342.487 2.415 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2ccccc2C#N)CC[N@@H+]1C ZINC001441505561 1095191547 /nfs/dbraw/zinc/19/15/47/1095191547.db2.gz CIEHBMCRUNEPAT-ZYSHUDEJSA-N 2 0 342.487 2.225 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001441577096 1095369390 /nfs/dbraw/zinc/36/93/90/1095369390.db2.gz UUEHBTCJHZBWKP-LJQANCHMSA-N 2 0 342.487 2.227 10 30 EEEERP C=C(C[NH+](C)C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001443750687 1098246475 /nfs/dbraw/zinc/24/64/75/1098246475.db2.gz GWJWVXZPNPNQSM-UHFFFAOYSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC001497662888 1102852031 /nfs/dbraw/zinc/85/20/31/1102852031.db2.gz MYJVLGPIRUNSIY-PDNKVIRKSA-N 2 0 340.471 2.051 10 30 EEEERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CC#Cc2ccccc2)C1 ZINC001497885520 1103256763 /nfs/dbraw/zinc/25/67/63/1103256763.db2.gz SFTCFOLHECGJLA-UYAOXDASSA-N 2 0 341.499 2.254 10 30 EEEERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060649 1103917587 /nfs/dbraw/zinc/91/75/87/1103917587.db2.gz JKFCJXGJDFIYSU-KBXCAEBGSA-N 2 0 346.450 2.118 10 30 EEEERP CN(CC[NH2+]Cc1cc(C#N)ccc1F)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001493583862 1108357361 /nfs/dbraw/zinc/35/73/61/1108357361.db2.gz KBYBNDMDAVTJOU-KRWDZBQOSA-N 2 0 346.450 2.120 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001493653479 1108460239 /nfs/dbraw/zinc/46/02/39/1108460239.db2.gz JASCIFJZPZIGMV-UHFFFAOYSA-N 2 0 345.462 2.100 10 30 EEEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001501679259 1113431065 /nfs/dbraw/zinc/43/10/65/1113431065.db2.gz NKNKMZYPCKOFOO-INIZCTEOSA-N 2 0 327.472 2.319 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCCC)CC2)CC1 ZINC001502147452 1113615942 /nfs/dbraw/zinc/61/59/42/1113615942.db2.gz JODNXBYOHLOWNZ-LJQANCHMSA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406949 1113671600 /nfs/dbraw/zinc/67/16/00/1113671600.db2.gz WUEBFKXNFMHSLU-MOPGFXCFSA-N 2 0 345.531 2.445 10 30 EEEERP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001507346607 1115209663 /nfs/dbraw/zinc/20/96/63/1115209663.db2.gz UXKZDKOHSOLEHX-JFIYKMOQSA-N 2 0 325.472 2.356 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001507454694 1115279693 /nfs/dbraw/zinc/27/96/93/1115279693.db2.gz ZBFCQAYPLYDHAK-GOSISDBHSA-N 2 0 342.487 2.225 10 30 EEEERP C=C(C)Cn1c(CN2CCCCC2)nnc1N1CCC[N@@H+](CC)CC1 ZINC001516016989 1118993102 /nfs/dbraw/zinc/99/31/02/1118993102.db2.gz PYEKKTLFMYYWFW-UHFFFAOYSA-N 2 0 346.523 2.372 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC(=C)C)[C@@H](C)C2)CC1 ZINC001568369775 1124442024 /nfs/dbraw/zinc/44/20/24/1124442024.db2.gz VZVYVBWUQLFLLP-HKUYNNGSSA-N 2 0 331.504 2.124 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)CCC[NH+]1CCCC1 ZINC001569099302 1125097803 /nfs/dbraw/zinc/09/78/03/1125097803.db2.gz YKLWUZGGNRJVRR-SFHVURJKSA-N 2 0 327.472 2.008 10 30 EEEERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cn2)CC1 ZINC000447528615 276202853 /nfs/dbraw/zinc/20/28/53/276202853.db2.gz ICNCIZWDNGOOJU-WMZOPIPTSA-N 2 0 327.476 2.395 10 30 EEEERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594439484 468587447 /nfs/dbraw/zinc/58/74/47/468587447.db2.gz QZEQSDYPQFDHLK-QGZVFWFLSA-N 2 0 343.475 2.097 10 30 EEEERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439878 468587710 /nfs/dbraw/zinc/58/77/10/468587710.db2.gz VQHQEJHRZDWSKP-ZWKOTPCHSA-N 2 0 328.460 2.131 10 30 EEEERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439483 468588007 /nfs/dbraw/zinc/58/80/07/468588007.db2.gz QZEQSDYPQFDHLK-KRWDZBQOSA-N 2 0 343.475 2.097 10 30 EEEERP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000600726852 468637392 /nfs/dbraw/zinc/63/73/92/468637392.db2.gz HKEFGNMZEPSXFB-IBGZPJMESA-N 2 0 349.519 2.444 10 30 EEEERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1(C)C ZINC000598961089 469068812 /nfs/dbraw/zinc/06/88/12/469068812.db2.gz IBBXCDOUOZULOD-KRWDZBQOSA-N 2 0 327.476 2.384 10 30 EEEERP Cc1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596359684 469250182 /nfs/dbraw/zinc/25/01/82/469250182.db2.gz BVVQNYUVWIOWSH-AWEZNQCLSA-N 2 0 333.436 2.459 10 30 EEEERP C=CC[C@]1(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662679821 472202384 /nfs/dbraw/zinc/20/23/84/472202384.db2.gz CZLLAJREOFVRDS-HXUWFJFHSA-N 2 0 327.472 2.249 10 30 EEEERP C[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262784230 688457859 /nfs/dbraw/zinc/45/78/59/688457859.db2.gz LZNHNXNMOZRVPC-HZZYYBQKSA-N 2 0 336.524 2.108 10 30 EEEERP C=CCCC[C@@H](N)c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000904674471 694451757 /nfs/dbraw/zinc/45/17/57/694451757.db2.gz YHEYQFZGRIEKDV-OAHLLOKOSA-N 2 0 342.447 2.240 10 30 EEEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001691153027 1177645734 /nfs/dbraw/zinc/64/57/34/1177645734.db2.gz IKYMRGGEFXUPAH-WKILWMFISA-N 2 0 339.443 2.332 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267093836 1178225751 /nfs/dbraw/zinc/22/57/51/1178225751.db2.gz PBHMBEKNOMONRQ-MOPGFXCFSA-N 2 0 327.472 2.402 10 30 EEEERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001267473127 1179103365 /nfs/dbraw/zinc/10/33/65/1179103365.db2.gz AZKGQJCOPNCALY-QGZVFWFLSA-N 2 0 348.516 2.288 10 30 EEEERP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)Cc1ccccc1 ZINC001268198404 1181992690 /nfs/dbraw/zinc/99/26/90/1181992690.db2.gz QRRSSBROQKFIFY-AZUAARDMSA-N 2 0 341.499 2.358 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268475880 1182880985 /nfs/dbraw/zinc/88/09/85/1182880985.db2.gz BSPLOLOEIVOFCQ-MRXNPFEDSA-N 2 0 336.505 2.144 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001482171740 1183497758 /nfs/dbraw/zinc/49/77/58/1183497758.db2.gz HOFPQEUYUBYWCK-ROUUACIJSA-N 2 0 341.499 2.435 10 30 EEEERP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001269553595 1184383053 /nfs/dbraw/zinc/38/30/53/1184383053.db2.gz WLPMGIYOSJNFNQ-IBGZPJMESA-N 2 0 333.520 2.302 10 30 EEEERP C#CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCCCC)CC1 ZINC001270315207 1185009957 /nfs/dbraw/zinc/00/99/57/1185009957.db2.gz JBDVNMVTCPDQAJ-HXUWFJFHSA-N 2 0 345.531 2.445 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001279112505 1185431726 /nfs/dbraw/zinc/43/17/26/1185431726.db2.gz IVBXBLSGWVDRAN-DLBZAZTESA-N 2 0 333.520 2.347 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001271445938 1186232469 /nfs/dbraw/zinc/23/24/69/1186232469.db2.gz IVNTVFCEBADNQF-YLJYHZDGSA-N 2 0 341.499 2.361 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+][C@@H](C)CCC=C)CC1 ZINC001671383958 1187159919 /nfs/dbraw/zinc/15/99/19/1187159919.db2.gz HWQRNKZADIJCCT-HKUYNNGSSA-N 2 0 331.504 2.267 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001482950167 1187889758 /nfs/dbraw/zinc/88/97/58/1187889758.db2.gz HRGUOBYVAKATGC-UHFFFAOYSA-N 2 0 343.515 2.454 10 30 EEEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001691621396 1188321183 /nfs/dbraw/zinc/32/11/83/1188321183.db2.gz UBAZXAMFIBKMAR-GVDBMIGSSA-N 2 0 330.476 2.205 10 30 EEEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001691629575 1188878791 /nfs/dbraw/zinc/87/87/91/1188878791.db2.gz QXKQUOICNIOJKF-ROUUACIJSA-N 2 0 342.487 2.138 10 30 EEEERP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001484168374 1191255314 /nfs/dbraw/zinc/25/53/14/1191255314.db2.gz XGLCYVBSPCBCGX-UYAOXDASSA-N 2 0 333.520 2.350 10 30 EEEERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2C#N)C1)[NH+](C)C ZINC001484546877 1191408359 /nfs/dbraw/zinc/40/83/59/1191408359.db2.gz KUKISZBDRWEVOJ-LPHOPBHVSA-N 2 0 342.487 2.227 10 30 EEEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001484558599 1191414573 /nfs/dbraw/zinc/41/45/73/1191414573.db2.gz JOYAHNJBKCOYRG-MRXNPFEDSA-N 2 0 327.472 2.461 10 30 EEEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001485031841 1191621913 /nfs/dbraw/zinc/62/19/13/1191621913.db2.gz UFGVZXDQMXQBJP-GOSISDBHSA-N 2 0 339.499 2.250 10 30 EEEERP C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485483848 1191799854 /nfs/dbraw/zinc/79/98/54/1191799854.db2.gz COCMHPNVATYKGU-JKSUJKDBSA-N 2 0 327.900 2.442 10 30 EEEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001691682440 1197488557 /nfs/dbraw/zinc/48/85/57/1197488557.db2.gz JKMDWCDKWDASAW-MSOLQXFVSA-N 2 0 333.520 2.491 10 30 EEEERP C[NH+](C)C[C@@H]1CN(c2cc(C#N)nc3ccccc32)C[C@H]1C[NH+](C)C ZINC000866012529 1198454190 /nfs/dbraw/zinc/45/41/90/1198454190.db2.gz GHNHNPAHWIUUKO-HZPDHXFCSA-N 2 0 337.471 2.282 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000876720077 1199737721 /nfs/dbraw/zinc/73/77/21/1199737721.db2.gz ZYGJATYWPBBAFL-KRWDZBQOSA-N 2 0 335.879 2.280 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000876734361 1199746259 /nfs/dbraw/zinc/74/62/59/1199746259.db2.gz CZRZSZPHAJZJNR-IRXDYDNUSA-N 2 0 335.879 2.485 10 30 EEEERP C[NH+](C)CCN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C1CCCC1 ZINC000867976822 1201718210 /nfs/dbraw/zinc/71/82/10/1201718210.db2.gz UQHUAWZTZHDBDM-IBGZPJMESA-N 2 0 340.471 2.078 10 30 EEEERP C#CCN(C)CCC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC001202602681 1202184735 /nfs/dbraw/zinc/18/47/35/1202184735.db2.gz KIZIRBRJHUJJHY-UHFFFAOYSA-N 2 0 342.531 2.263 10 30 EEEERP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001275135092 1205265145 /nfs/dbraw/zinc/26/51/45/1205265145.db2.gz FYSGYPOUHFNEIE-RTBURBONSA-N 2 0 331.504 2.340 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1CC ZINC001275574423 1205423716 /nfs/dbraw/zinc/42/37/16/1205423716.db2.gz WMDULMKAIDYWPC-PXNSSMCTSA-N 2 0 341.499 2.283 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000928649349 1206407318 /nfs/dbraw/zinc/40/73/18/1206407318.db2.gz HYGXHQDNWFSELT-LJQANCHMSA-N 2 0 339.483 2.323 10 30 EEEERP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000303910262 1213923618 /nfs/dbraw/zinc/92/36/18/1213923618.db2.gz YSRNAGBIDJXYRV-INIZCTEOSA-N 2 0 347.482 2.137 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000900893819 1234967711 /nfs/dbraw/zinc/96/77/11/1234967711.db2.gz DIOZDNIRDJVRNV-IBGZPJMESA-N 2 0 329.488 2.475 10 30 EEEERP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001273849094 1286761767 /nfs/dbraw/zinc/76/17/67/1286761767.db2.gz PUKWBVPIILXIRO-FQEVSTJZSA-N 2 0 331.504 2.200 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCCC)CC1 ZINC001489056246 1290347372 /nfs/dbraw/zinc/34/73/72/1290347372.db2.gz NSUGGJKDNBWHSU-MJGOQNOKSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001490609816 1291520961 /nfs/dbraw/zinc/52/09/61/1291520961.db2.gz LSZRYCYXWJQIMX-GOSISDBHSA-N 2 0 331.504 2.247 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1)C(C)C ZINC001120571025 1309616315 /nfs/dbraw/zinc/61/63/15/1309616315.db2.gz XDWFYJGAKDDTII-OKZBNKHCSA-N 2 0 336.524 2.311 10 30 EEEERP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001278404356 1310079228 /nfs/dbraw/zinc/07/92/28/1310079228.db2.gz NEVOUWRTMFSWAJ-QFBILLFUSA-N 2 0 327.472 2.007 10 30 EEEERP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278747709 1317957849 /nfs/dbraw/zinc/95/78/49/1317957849.db2.gz RZYOEZDSBZJABU-LSDHHAIUSA-N 2 0 331.451 2.366 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001279012615 1318992156 /nfs/dbraw/zinc/99/21/56/1318992156.db2.gz PAXFUUVJLZMXSL-PKOBYXMFSA-N 2 0 341.499 2.254 10 30 EEEERP C#CC[NH+](CC#C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001204647122 1322201020 /nfs/dbraw/zinc/20/10/20/1322201020.db2.gz CLSRJQMHNLURSM-UHFFFAOYSA-N 2 0 339.439 2.418 10 30 EEEERP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001265092074 1322915862 /nfs/dbraw/zinc/91/58/62/1322915862.db2.gz NDBPJTBTJGBRDW-VQIMIIECSA-N 2 0 331.504 2.101 10 30 EEEERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001265104531 1322921020 /nfs/dbraw/zinc/92/10/20/1322921020.db2.gz WHVXJHDROPEYIJ-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001265456250 1323164674 /nfs/dbraw/zinc/16/46/74/1323164674.db2.gz MASKQGXQVSSIPQ-AWEZNQCLSA-N 2 0 334.489 2.042 10 30 EEEERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001265811003 1323393271 /nfs/dbraw/zinc/39/32/71/1323393271.db2.gz KICVFZBZNGDUNZ-QAPCUYQASA-N 2 0 347.890 2.270 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265910877 1323479462 /nfs/dbraw/zinc/47/94/62/1323479462.db2.gz SSZSOIVQZVETLW-VQTJNVASSA-N 2 0 339.483 2.103 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CCCC(C)C)C2)CC1 ZINC001279329473 1323876331 /nfs/dbraw/zinc/87/63/31/1323876331.db2.gz XFWRZVTWZRPOSY-UHFFFAOYSA-N 2 0 333.520 2.347 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001280446560 1324230802 /nfs/dbraw/zinc/23/08/02/1324230802.db2.gz LTJBCQJEOZAZDO-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C=CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001284736481 1326689166 /nfs/dbraw/zinc/68/91/66/1326689166.db2.gz HKLRVODFDHQCDV-GJZGRUSLSA-N 2 0 347.425 2.417 10 30 EEEERP CC#CC[NH+]1CCC(C2(NC(=O)C[N@H+](C)CC(C)(C)C)CC2)CC1 ZINC001284846775 1326742006 /nfs/dbraw/zinc/74/20/06/1326742006.db2.gz SMYUJNGSENLBTD-UHFFFAOYSA-N 2 0 333.520 2.348 10 30 EEEERP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]CC#Cc1ccccc1 ZINC001492129827 1330983056 /nfs/dbraw/zinc/98/30/56/1330983056.db2.gz SKQFMHNDYLSWSP-LJQANCHMSA-N 2 0 341.499 2.399 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC001316726567 1331842405 /nfs/dbraw/zinc/84/24/05/1331842405.db2.gz GQUQJDFMZKSSHB-KGLIPLIRSA-N 2 0 347.425 2.273 10 30 EEEERP CN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)CCC[NH+](C)C ZINC001317634960 1332340011 /nfs/dbraw/zinc/34/00/11/1332340011.db2.gz RRXDXSIEOJVYBE-UHFFFAOYSA-N 2 0 335.879 2.081 10 30 EEEERP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001319038671 1332640220 /nfs/dbraw/zinc/64/02/20/1332640220.db2.gz SYWKNQMZGXJGJI-OALUTQOASA-N 2 0 331.504 2.245 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319285717 1332675532 /nfs/dbraw/zinc/67/55/32/1332675532.db2.gz PHXZTEUTMJGZHL-UYAOXDASSA-N 2 0 341.499 2.254 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001322530555 1333277445 /nfs/dbraw/zinc/27/74/45/1333277445.db2.gz IDJHWVHFRFOENA-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001323733306 1333526854 /nfs/dbraw/zinc/52/68/54/1333526854.db2.gz DYVXHWXTHOUWDR-KRWDZBQOSA-N 2 0 342.487 2.335 10 30 EEEERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001326411023 1334087401 /nfs/dbraw/zinc/08/74/01/1334087401.db2.gz GLLYUHOSSHKXLI-WMLDXEAASA-N 2 0 348.516 2.288 10 30 EEEERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001329197541 1334604380 /nfs/dbraw/zinc/60/43/80/1334604380.db2.gz VQPSNDHZVLBIET-HZPDHXFCSA-N 2 0 347.890 2.270 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC=C)CC2(C)C)CC1 ZINC001330261909 1334814503 /nfs/dbraw/zinc/81/45/03/1334814503.db2.gz ISARHWFXEPMWEG-GOSISDBHSA-N 2 0 331.504 2.124 10 30 EEEERP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@]2(C)C1 ZINC001330528551 1334865166 /nfs/dbraw/zinc/86/51/66/1334865166.db2.gz JTDIFQUJRNNSHP-KDURUIRLSA-N 2 0 333.520 2.465 10 30 EEEERP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001332114075 1335733005 /nfs/dbraw/zinc/73/30/05/1335733005.db2.gz UQSRRTLSGANNTC-ICSRJNTNSA-N 2 0 349.519 2.177 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCCC=C)C(C)(C)C)CC1 ZINC001332899563 1335927472 /nfs/dbraw/zinc/92/74/72/1335927472.db2.gz QUWZDTPONQWMBW-SFHVURJKSA-N 2 0 333.520 2.418 10 30 EEEERP CC#CC[NH+]1CCC(C)(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001569575630 1342900352 /nfs/dbraw/zinc/90/03/52/1342900352.db2.gz YRLAJNZIJXGKFT-LJQANCHMSA-N 2 0 337.483 2.193 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001569828842 1342954457 /nfs/dbraw/zinc/95/44/57/1342954457.db2.gz PIRUXDBFUSNSOI-APWZRJJASA-N 2 0 327.472 2.212 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001570640423 1343096499 /nfs/dbraw/zinc/09/64/99/1343096499.db2.gz AIYKGXDDQFSMMH-JKSUJKDBSA-N 2 0 333.451 2.002 10 30 EEEERP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[C@H]3[NH3+])CC2)c1 ZINC001645909121 1352808768 /nfs/dbraw/zinc/80/87/68/1352808768.db2.gz IVRLGWCUZVJDDF-RTBURBONSA-N 2 0 340.471 2.156 10 30 EEEERP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001660794617 1354540231 /nfs/dbraw/zinc/54/02/31/1354540231.db2.gz SJKRZVDWIVJBHO-UHFFFAOYSA-N 2 0 341.499 2.303 10 30 EEEERP C#CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001661554845 1354657641 /nfs/dbraw/zinc/65/76/41/1354657641.db2.gz HDNIYQYPPUMHSR-MSOLQXFVSA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001663013925 1354887788 /nfs/dbraw/zinc/88/77/88/1354887788.db2.gz ICCYOVSOHKVOBD-QGZVFWFLSA-N 2 0 345.531 2.396 10 30 EEEERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001664392140 1355153262 /nfs/dbraw/zinc/15/32/62/1355153262.db2.gz YLMSVRSDDNXHAO-GJZGRUSLSA-N 2 0 346.450 2.118 10 30 EEEERP C#CCC[NH2+]C[C@]1(NC(=O)C2CC[NH+](CC#C)CC2)CCCC[C@@H]1C ZINC001666069747 1355439787 /nfs/dbraw/zinc/43/97/87/1355439787.db2.gz WHNUUXFOHJHLLG-GHTZIAJQSA-N 2 0 343.515 2.010 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCCC=C)CC1 ZINC001667768693 1355811478 /nfs/dbraw/zinc/81/14/78/1355811478.db2.gz AZTJORMNBFUQFO-OALUTQOASA-N 2 0 331.504 2.172 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC[NH+](CC2CC2)CC1 ZINC001671481466 1356346728 /nfs/dbraw/zinc/34/67/28/1356346728.db2.gz LGDDOLVZTGGHNK-AZUAARDMSA-N 2 0 343.515 2.340 10 30 EEEERP C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001673928061 1356761194 /nfs/dbraw/zinc/76/11/94/1356761194.db2.gz ANFDCELMABVECV-QFBILLFUSA-N 2 0 345.487 2.001 10 30 EEEERP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001675252792 1356951760 /nfs/dbraw/zinc/95/17/60/1356951760.db2.gz DXWHMQQJURMGAN-SJORKVTESA-N 2 0 325.472 2.050 10 30 EEEERP C#CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CC(C)C)CC1 ZINC001699789136 1405486582 /nfs/dbraw/zinc/48/65/82/1405486582.db2.gz LNNZMHZFERPQFD-HDICACEKSA-N 2 0 333.520 2.441 10 30 EEEERP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000940882427 779459024 /nfs/dbraw/zinc/45/90/24/779459024.db2.gz QLWJBCXDRUBLNM-KRWDZBQOSA-N 2 0 339.443 2.284 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000908083185 785049890 /nfs/dbraw/zinc/04/98/90/785049890.db2.gz QLTQEPGVUZRELJ-UHFFFAOYSA-N 2 0 345.487 2.284 10 30 EEEERP C#CC[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](CC#C)C3)COC2)C1 ZINC000829810293 805405735 /nfs/dbraw/zinc/40/57/35/805405735.db2.gz NMAWSCAODBBYGX-WOJBJXKFSA-N 2 0 328.500 2.474 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001565995447 1125492092 /nfs/dbraw/zinc/49/20/92/1125492092.db2.gz RRUXROKMLXNJDR-MISYRCLQSA-N 2 0 345.531 2.491 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC001440654826 1093927961 /nfs/dbraw/zinc/92/79/61/1093927961.db2.gz XZOXMBNGQRHIQX-QFBILLFUSA-N 2 0 342.487 2.368 10 30 EEEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001440753349 1093998227 /nfs/dbraw/zinc/99/82/27/1093998227.db2.gz UNGYGKCOGBWBGT-GPANFISMSA-N 2 0 327.900 2.344 10 30 EEEERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)Cc1cccc(C#N)c1 ZINC001440956760 1094211038 /nfs/dbraw/zinc/21/10/38/1094211038.db2.gz FCJRWTZVXFFIDK-BXWFABGCSA-N 2 0 342.487 2.225 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480472618 1100280230 /nfs/dbraw/zinc/28/02/30/1100280230.db2.gz QNJZCFQDDDSXQG-MAUKXSAKSA-N 2 0 328.460 2.027 10 30 EEEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001496610008 1101213174 /nfs/dbraw/zinc/21/31/74/1101213174.db2.gz ASNGLQITCJDDLE-QYZOEREBSA-N 2 0 329.488 2.248 10 30 EEEERP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001494018128 1103354322 /nfs/dbraw/zinc/35/43/22/1103354322.db2.gz DZDKSFVSEDUVHW-ROUUACIJSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CCCCC)C2)CC1 ZINC001494179874 1103655307 /nfs/dbraw/zinc/65/53/07/1103655307.db2.gz VZZWYARIPLUVNS-SFHVURJKSA-N 2 0 333.520 2.302 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCC(=C)C)C2)CC1 ZINC001480711713 1106936255 /nfs/dbraw/zinc/93/62/55/1106936255.db2.gz ZUKYYNWFWWERHI-RBUKOAKNSA-N 2 0 331.504 2.315 10 30 EEEERP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001499576579 1112382657 /nfs/dbraw/zinc/38/26/57/1112382657.db2.gz LRAOGSMYKFFGIT-IBGZPJMESA-N 2 0 331.504 2.363 10 30 EEEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CCCC1 ZINC001500096330 1112614889 /nfs/dbraw/zinc/61/48/89/1112614889.db2.gz FYLMIXCYYOBFDV-MOPGFXCFSA-N 2 0 333.520 2.395 10 30 EEEERP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001501219314 1113248465 /nfs/dbraw/zinc/24/84/65/1113248465.db2.gz GZZXTJPPTPUVNY-AKHDSKFASA-N 2 0 333.520 2.463 10 30 EEEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001502798391 1113803572 /nfs/dbraw/zinc/80/35/72/1113803572.db2.gz BVWBTFILWGSLSY-UHFFFAOYSA-N 2 0 327.900 2.442 10 30 EEEERP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001502966449 1113863842 /nfs/dbraw/zinc/86/38/42/1113863842.db2.gz DGUBLQZQHIMJDO-KBPBESRZSA-N 2 0 334.489 2.041 10 30 EEEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001503001732 1113869651 /nfs/dbraw/zinc/86/96/51/1113869651.db2.gz IZWHDYQUGXYKRG-DLBZAZTESA-N 2 0 337.508 2.033 10 30 EEEERP CN(CC(C)(C)C[NH2+]Cc1cccc(C#N)c1)C(=O)C[NH+]1CCCC1 ZINC001505848190 1114231381 /nfs/dbraw/zinc/23/13/81/1114231381.db2.gz LMDQYPYGCDEVGM-UHFFFAOYSA-N 2 0 342.487 2.228 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CC[C@H](C)F)CC2)CC1 ZINC001506979592 1115028372 /nfs/dbraw/zinc/02/83/72/1115028372.db2.gz YBHOLKJBRGOZSR-INIZCTEOSA-N 2 0 337.483 2.003 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CCC(C)C)C2CC2)CC1 ZINC001568033307 1124240807 /nfs/dbraw/zinc/24/08/07/1124240807.db2.gz FUDMYOBLZVQHIT-FQEVSTJZSA-N 2 0 333.520 2.252 10 30 EEEERP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568329414 1124422048 /nfs/dbraw/zinc/42/20/48/1124422048.db2.gz XPWGXDZDXBEPFE-ROUUACIJSA-N 2 0 333.520 2.395 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001568713984 1124730957 /nfs/dbraw/zinc/73/09/57/1124730957.db2.gz MLUVNMFAQATSOG-AZUAARDMSA-N 2 0 341.499 2.397 10 30 EEEERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000564793146 319110207 /nfs/dbraw/zinc/11/02/07/319110207.db2.gz OLPURUXMMSPBLR-ABHNRTSZSA-N 2 0 331.460 2.008 10 30 EEEERP CCc1nn(C)c(CC)c1CNC(N[C@@H]1CC[N@@H+](CC)[C@H](C)C1)=[NH+]C ZINC000095974607 463120939 /nfs/dbraw/zinc/12/09/39/463120939.db2.gz IHVUJGYYZRBLRL-HUUCEWRRSA-N 2 0 348.539 2.083 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000246099849 464544998 /nfs/dbraw/zinc/54/49/98/464544998.db2.gz HDCGQYDXOGWRCJ-MSOLQXFVSA-N 2 0 334.508 2.294 10 30 EEEERP N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(C[NH3+])cc3)CC2)c1 ZINC000593918241 468432603 /nfs/dbraw/zinc/43/26/03/468432603.db2.gz BOAPAHFWZZDRDL-UHFFFAOYSA-N 2 0 348.450 2.411 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000417546068 466880846 /nfs/dbraw/zinc/88/08/46/466880846.db2.gz YXYOCLOZVVXNIS-UHFFFAOYSA-N 2 0 344.503 2.240 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000594440863 468588536 /nfs/dbraw/zinc/58/85/36/468588536.db2.gz IUHPIHIUIBDACO-IBGZPJMESA-N 2 0 342.487 2.221 10 30 EEEERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594443882 468590305 /nfs/dbraw/zinc/59/03/05/468590305.db2.gz WNHLGFQDUKTHJB-CRAIPNDOSA-N 2 0 343.475 2.134 10 30 EEEERP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001485670276 1191890029 /nfs/dbraw/zinc/89/00/29/1191890029.db2.gz PRGHGZAFZPEAEX-RLLQIKCJSA-N 2 0 333.520 2.465 10 30 EEEERP C#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001485778416 1191934968 /nfs/dbraw/zinc/93/49/68/1191934968.db2.gz FPOBPSFEPYOVMD-OALUTQOASA-N 2 0 327.472 2.331 10 30 EEEERP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC001266388786 1176462025 /nfs/dbraw/zinc/46/20/25/1176462025.db2.gz RBPQZFDTFPQIIL-QGZVFWFLSA-N 2 0 342.487 2.172 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001266556826 1176838086 /nfs/dbraw/zinc/83/80/86/1176838086.db2.gz AHVRBIMMDGMCDP-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001691162044 1177660484 /nfs/dbraw/zinc/66/04/84/1177660484.db2.gz SVEQIYZVYBIJSX-UFYCRDLUSA-N 2 0 339.483 2.007 10 30 EEEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001691241632 1177757194 /nfs/dbraw/zinc/75/71/94/1177757194.db2.gz DHJCUBSFOUTLSU-ZWKOTPCHSA-N 2 0 333.520 2.396 10 30 EEEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001267196929 1178474008 /nfs/dbraw/zinc/47/40/08/1178474008.db2.gz ODBWNRDFMNCGAT-HKUYNNGSSA-N 2 0 333.520 2.348 10 30 EEEERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC#Cc2ccccc2)C1 ZINC001691441346 1178633906 /nfs/dbraw/zinc/63/39/06/1178633906.db2.gz NVFIGFWQEOEEOI-FQEVSTJZSA-N 2 0 341.499 2.208 10 30 EEEERP CC#CC[NH+](CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C1CC1 ZINC001267336301 1178780339 /nfs/dbraw/zinc/78/03/39/1178780339.db2.gz LXVAXPRJQBDMNK-IBGZPJMESA-N 2 0 327.472 2.283 10 30 EEEERP C#CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001481185170 1180024859 /nfs/dbraw/zinc/02/48/59/1180024859.db2.gz WDZUBNUDGKSHKI-LJQANCHMSA-N 2 0 331.504 2.387 10 30 EEEERP C=CCC[NH+](CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001481186715 1180031342 /nfs/dbraw/zinc/03/13/42/1180031342.db2.gz VNOWCUSLYKZMKO-SFHVURJKSA-N 2 0 325.472 2.356 10 30 EEEERP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001267925785 1180773743 /nfs/dbraw/zinc/77/37/43/1180773743.db2.gz NECJWCPIBYCIKC-NCXUSEDFSA-N 2 0 349.519 2.223 10 30 EEEERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(C#N)cc1 ZINC001481358017 1181116482 /nfs/dbraw/zinc/11/64/82/1181116482.db2.gz JHSWSIDPQLDWJE-LJQANCHMSA-N 2 0 342.487 2.227 10 30 EEEERP C[C@H](C(=O)N(C)CC[NH2+]CC#Cc1ccccc1)[NH+]1CCCCCC1 ZINC001691499784 1182051148 /nfs/dbraw/zinc/05/11/48/1182051148.db2.gz CKQJODZTYHUICM-LJQANCHMSA-N 2 0 341.499 2.351 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCC1CCCCC1 ZINC001268239331 1182064608 /nfs/dbraw/zinc/06/46/08/1182064608.db2.gz RDGUYGXDIAGQHB-IBGZPJMESA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001268282181 1182150915 /nfs/dbraw/zinc/15/09/15/1182150915.db2.gz FEAHGZQNNRAGDR-QZTJIDSGSA-N 2 0 333.520 2.396 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001481660173 1182162909 /nfs/dbraw/zinc/16/29/09/1182162909.db2.gz BQPMYCUKERUYDD-UHFFFAOYSA-N 2 0 333.520 2.206 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001268402320 1182500591 /nfs/dbraw/zinc/50/05/91/1182500591.db2.gz GNCCGWHYXMIMGS-GOSISDBHSA-N 2 0 341.499 2.254 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001481984432 1183087135 /nfs/dbraw/zinc/08/71/35/1183087135.db2.gz MDRYJYYDSUSJSO-OALUTQOASA-N 2 0 333.520 2.350 10 30 EEEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001269921086 1184719411 /nfs/dbraw/zinc/71/94/11/1184719411.db2.gz YBUCCFHPQCCCKE-MOPGFXCFSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001270331640 1185024301 /nfs/dbraw/zinc/02/43/01/1185024301.db2.gz KMKUMZZKJCFXMY-HKUYNNGSSA-N 2 0 333.520 2.443 10 30 EEEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001270761017 1185371772 /nfs/dbraw/zinc/37/17/72/1185371772.db2.gz RUUSMCOULHUXPR-FQEVSTJZSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](C/C=C\Cl)C1 ZINC001270965578 1185776600 /nfs/dbraw/zinc/77/66/00/1185776600.db2.gz LIMNXLVQEABBGT-SHNOEDDCSA-N 2 0 337.895 2.055 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001271528978 1186293461 /nfs/dbraw/zinc/29/34/61/1186293461.db2.gz DJBNWHXEULCGIZ-ICSRJNTNSA-N 2 0 341.499 2.011 10 30 EEEERP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCC1)C2 ZINC001271750294 1186458666 /nfs/dbraw/zinc/45/86/66/1186458666.db2.gz OQGMJSPGPKMERQ-REPLKXPHSA-N 2 0 331.504 2.245 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001409413787 1189644388 /nfs/dbraw/zinc/64/43/88/1189644388.db2.gz XZYVTRKKYLQWTF-STQMWFEESA-N 2 0 344.297 2.006 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC001486096766 1193679935 /nfs/dbraw/zinc/67/99/35/1193679935.db2.gz RWOJRKNUZPNBLL-WBVHZDCISA-N 2 0 331.460 2.337 10 30 EEEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001484138931 1191229935 /nfs/dbraw/zinc/22/99/35/1191229935.db2.gz SHLWHFOOJRFDTL-QZTJIDSGSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CCCCC)C2)CC1 ZINC001484359207 1191315352 /nfs/dbraw/zinc/31/53/52/1191315352.db2.gz SVHCAHHXARUXKZ-IEBWSBKVSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001484727361 1191486973 /nfs/dbraw/zinc/48/69/73/1191486973.db2.gz BVHLEGMARXZEKY-MOPGFXCFSA-N 2 0 333.520 2.491 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001485386855 1191774321 /nfs/dbraw/zinc/77/43/21/1191774321.db2.gz AMFGYWLNPQHFRI-VQIMIIECSA-N 2 0 342.487 2.369 10 30 EEEERP C=CC[NH2+][C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccccc1 ZINC001486189494 1193731600 /nfs/dbraw/zinc/73/16/00/1193731600.db2.gz VYJDSRLUEXCBJU-PMACEKPBSA-N 2 0 341.499 2.221 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000876754158 1199757293 /nfs/dbraw/zinc/75/72/93/1199757293.db2.gz PVKLVTVOZJWSGN-HNNXBMFYSA-N 2 0 325.840 2.060 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000876875839 1199802133 /nfs/dbraw/zinc/80/21/33/1199802133.db2.gz CHPVYSSXNWUVBU-HNNXBMFYSA-N 2 0 345.821 2.325 10 30 EEEERP C#CCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000886577453 1202526471 /nfs/dbraw/zinc/52/64/71/1202526471.db2.gz IWTYPBSAHQPBCH-LJQANCHMSA-N 2 0 327.472 2.235 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001274719531 1205142091 /nfs/dbraw/zinc/14/20/91/1205142091.db2.gz AOMJFYIQWZWLEN-AZUAARDMSA-N 2 0 341.499 2.395 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)CC#Cc1ccccc1 ZINC001275574041 1205423172 /nfs/dbraw/zinc/42/31/72/1205423172.db2.gz MRDXZCGRXFVZIA-QUCCMNQESA-N 2 0 341.499 2.349 10 30 EEEERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)c(F)c1 ZINC000925852533 1206161037 /nfs/dbraw/zinc/16/10/37/1206161037.db2.gz CLZVCTOMLQJMIS-WFASDCNBSA-N 2 0 331.391 2.033 10 30 EEEERP C#CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001273599457 1280825524 /nfs/dbraw/zinc/82/55/24/1280825524.db2.gz RINLNWALFARJEP-RTBURBONSA-N 2 0 333.520 2.302 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001273765161 1285132817 /nfs/dbraw/zinc/13/28/17/1285132817.db2.gz LWJMMLMNWBZOOO-KDURUIRLSA-N 2 0 341.499 2.349 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001273771145 1285327291 /nfs/dbraw/zinc/32/72/91/1285327291.db2.gz ABSDRLZYSDNANH-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001276921098 1300269946 /nfs/dbraw/zinc/26/99/46/1300269946.db2.gz HJUFVCRLQLIHIC-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001262007342 1322222080 /nfs/dbraw/zinc/22/20/80/1322222080.db2.gz BQKMGXWKOAPFQJ-HNNXBMFYSA-N 2 0 336.867 2.155 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001265978680 1323538584 /nfs/dbraw/zinc/53/85/84/1323538584.db2.gz URVKUFFTJZLKQC-RLLQIKCJSA-N 2 0 345.531 2.206 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001266056318 1323607264 /nfs/dbraw/zinc/60/72/64/1323607264.db2.gz NRYVLUNIWQHTBP-DLBZAZTESA-N 2 0 347.507 2.042 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C=C/Cl)C2)CC1 ZINC001266079601 1323635848 /nfs/dbraw/zinc/63/58/48/1323635848.db2.gz RZCZPHMFZWTZKI-VAJLHQMSSA-N 2 0 337.895 2.101 10 30 EEEERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(C#N)s1 ZINC001266100651 1323663958 /nfs/dbraw/zinc/66/39/58/1323663958.db2.gz GVBVXPGNYLQNCN-UHFFFAOYSA-N 2 0 346.500 2.044 10 30 EEEERP O=C(N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001283051914 1325901500 /nfs/dbraw/zinc/90/15/00/1325901500.db2.gz VWGCNXNQBLKBKD-NCXUSEDFSA-N 2 0 348.450 2.049 10 30 EEEERP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001283068939 1325907500 /nfs/dbraw/zinc/90/75/00/1325907500.db2.gz IXQXKKXJGVLIGK-ZHALLVOQSA-N 2 0 331.504 2.291 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001283260187 1325976285 /nfs/dbraw/zinc/97/62/85/1325976285.db2.gz MEYMWEVHWXBREZ-QFBILLFUSA-N 2 0 342.487 2.275 10 30 EEEERP CC[C@H](C(=O)N(C)C1CC([NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001284773300 1326706835 /nfs/dbraw/zinc/70/68/35/1326706835.db2.gz CDQGBSAWAIMKSP-CTWPCTMYSA-N 2 0 345.462 2.096 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CCCCCC)C2)CC1 ZINC001284818254 1326727648 /nfs/dbraw/zinc/72/76/48/1326727648.db2.gz BRSQXUUZWASZAJ-UHFFFAOYSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1F ZINC001492111011 1330479710 /nfs/dbraw/zinc/47/97/10/1330479710.db2.gz YMQQIZWGYWQPNY-ZBFHGGJFSA-N 2 0 346.450 2.024 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001316727809 1331864746 /nfs/dbraw/zinc/86/47/46/1331864746.db2.gz OUZFPXARJYZQGI-KGLIPLIRSA-N 2 0 335.414 2.131 10 30 EEEERP CC[C@H](C(=O)NCCC[N@H+](C)CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001316835395 1331922934 /nfs/dbraw/zinc/92/29/34/1331922934.db2.gz OKWZOZCQTWAVRU-GOSISDBHSA-N 2 0 349.906 2.470 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001316876957 1331945519 /nfs/dbraw/zinc/94/55/19/1331945519.db2.gz DBZRDQMJFZVVJN-PKOBYXMFSA-N 2 0 333.520 2.489 10 30 EEEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001317681473 1332368877 /nfs/dbraw/zinc/36/88/77/1332368877.db2.gz NOIIQTZPIKJSGV-KRWDZBQOSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC([C@H](C)[NH2+]CC(=C)C)CC2)CC1 ZINC001317684991 1332372003 /nfs/dbraw/zinc/37/20/03/1332372003.db2.gz VOIRCZTZJIXCLK-KRWDZBQOSA-N 2 0 331.504 2.124 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001317773994 1332404692 /nfs/dbraw/zinc/40/46/92/1332404692.db2.gz VHVAANDDFUMUDP-LJQANCHMSA-N 2 0 331.504 2.055 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCCCCC)C2)CC1 ZINC001318445645 1332536862 /nfs/dbraw/zinc/53/68/62/1332536862.db2.gz OLDBJKAYDZMQMO-LJQANCHMSA-N 2 0 333.520 2.445 10 30 EEEERP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001318983908 1332632482 /nfs/dbraw/zinc/63/24/82/1332632482.db2.gz PJDQUXZEGBIIBH-BZSNNMDCSA-N 2 0 337.508 2.080 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCCc2ccccc2)CC1 ZINC001321757242 1333153720 /nfs/dbraw/zinc/15/37/20/1333153720.db2.gz ZPRFWFTVVZNBJH-GOSISDBHSA-N 2 0 341.499 2.059 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001321992141 1333191615 /nfs/dbraw/zinc/19/16/15/1333191615.db2.gz VTUDAYFEHGHKTP-CVEARBPZSA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)Cc2csc(C)c2)CC1 ZINC001322306344 1333244455 /nfs/dbraw/zinc/24/44/55/1333244455.db2.gz KATIMQRLZPBXSS-OAHLLOKOSA-N 2 0 347.528 2.338 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001324075058 1333602920 /nfs/dbraw/zinc/60/29/20/1333602920.db2.gz PFPOORSTUXTCMN-QZTJIDSGSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001324786823 1333760114 /nfs/dbraw/zinc/76/01/14/1333760114.db2.gz AZBAGRFSBFRKPC-OAQYLSRUSA-N 2 0 341.499 2.012 10 30 EEEERP C=C(C)C[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCOCC1 ZINC001325025530 1333813912 /nfs/dbraw/zinc/81/39/12/1333813912.db2.gz KDFBHSQYAHDYHZ-UHFFFAOYSA-N 2 0 345.487 2.193 10 30 EEEERP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001325053019 1333818974 /nfs/dbraw/zinc/81/89/74/1333818974.db2.gz FTOULZQDXWUFLR-HUUCEWRRSA-N 2 0 331.451 2.222 10 30 EEEERP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001325363918 1333872512 /nfs/dbraw/zinc/87/25/12/1333872512.db2.gz VPGBUJSJYWAVMF-LJQANCHMSA-N 2 0 333.520 2.302 10 30 EEEERP C=C(Br)C[NH2+]CCN(CC)C(=O)C[C@@H](C)n1ccnc1 ZINC001668570068 1355964697 /nfs/dbraw/zinc/96/46/97/1355964697.db2.gz LZNDZNDKCKOWIE-CYBMUJFWSA-N 2 0 343.269 2.181 10 30 EEEERP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1)[NH+](C)C ZINC001436364376 1342054161 /nfs/dbraw/zinc/05/41/61/1342054161.db2.gz KLAGYEGBZNUJCU-VHSSKADRSA-N 2 0 346.450 2.022 10 30 EEEERP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001506575489 1342255725 /nfs/dbraw/zinc/25/57/25/1342255725.db2.gz MKHLDHKYIVBRGT-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001566689854 1342603817 /nfs/dbraw/zinc/60/38/17/1342603817.db2.gz WBESLNYKRONAST-ZWKOTPCHSA-N 2 0 349.519 2.033 10 30 EEEERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001567571078 1342786181 /nfs/dbraw/zinc/78/61/81/1342786181.db2.gz NCNGYBFGJOVUIE-IBGZPJMESA-N 2 0 342.487 2.369 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001569597478 1342905612 /nfs/dbraw/zinc/90/56/12/1342905612.db2.gz GAJMXUWLMJWAIO-UXHICEINSA-N 2 0 335.451 2.314 10 30 EEEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001569723122 1342932554 /nfs/dbraw/zinc/93/25/54/1342932554.db2.gz BSXYEPOAINARDH-HXUWFJFHSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[NH+]1CCC(CCCCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001570267260 1343044830 /nfs/dbraw/zinc/04/48/30/1343044830.db2.gz KHACFPPVAOEKOU-UHFFFAOYSA-N 2 0 333.520 2.494 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001660409083 1354459846 /nfs/dbraw/zinc/45/98/46/1354459846.db2.gz TYPSVCITOVPQPM-UHFFFAOYSA-N 2 0 349.906 2.470 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001661220582 1354611193 /nfs/dbraw/zinc/61/11/93/1354611193.db2.gz GNCJIUKVDQQNKH-SFHVURJKSA-N 2 0 341.499 2.208 10 30 EEEERP C#CCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001671535995 1356357630 /nfs/dbraw/zinc/35/76/30/1356357630.db2.gz KCYOKCNAZOABEN-GOSISDBHSA-N 2 0 331.504 2.150 10 30 EEEERP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001672170304 1356472637 /nfs/dbraw/zinc/47/26/37/1356472637.db2.gz DQUWZKBKJWFPLS-LJQANCHMSA-N 2 0 333.520 2.301 10 30 EEEERP C=CCC[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCOCC1 ZINC001673747196 1356741374 /nfs/dbraw/zinc/74/13/74/1356741374.db2.gz LJYFKASLGKFGGE-UHFFFAOYSA-N 2 0 345.487 2.193 10 30 EEEERP C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001675620458 1357016738 /nfs/dbraw/zinc/01/67/38/1357016738.db2.gz BQVXAHXLXQIMRN-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP CC#CC[N@H+](C)CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001698953976 1405186464 /nfs/dbraw/zinc/18/64/64/1405186464.db2.gz MPSDNXAFSBXPMY-UHFFFAOYSA-N 2 0 331.504 2.199 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699116320 1405271486 /nfs/dbraw/zinc/27/14/86/1405271486.db2.gz WXWODSXAFDEACN-RDTXWAMCSA-N 2 0 346.450 2.166 10 30 EEEERP C#CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CC(C)C)CC1 ZINC001699789138 1405486632 /nfs/dbraw/zinc/48/66/32/1405486632.db2.gz LNNZMHZFERPQFD-ROUUACIJSA-N 2 0 333.520 2.441 10 30 EEEERP C#CCC1([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000933300966 759710075 /nfs/dbraw/zinc/71/00/75/759710075.db2.gz HRBPXQQVRQEDDD-UHFFFAOYSA-N 2 0 339.483 2.434 10 30 EEEERP C=C(C[NH+](C)C)C(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC000911567332 787542985 /nfs/dbraw/zinc/54/29/85/787542985.db2.gz ASNPUHUQUJTTFX-MOPGFXCFSA-N 2 0 327.472 2.372 10 30 EEEERP C#CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000914075664 794833448 /nfs/dbraw/zinc/83/34/48/794833448.db2.gz ZWMYIDXIYZRFBC-KRWDZBQOSA-N 2 0 348.516 2.090 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001437010948 1088788013 /nfs/dbraw/zinc/78/80/13/1088788013.db2.gz NPWZEIDAICRTIS-HRCADAONSA-N 2 0 327.900 2.297 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001439328010 1092009078 /nfs/dbraw/zinc/00/90/78/1092009078.db2.gz PWUCABXQRLKPHC-XOKHGSTOSA-N 2 0 348.516 2.287 10 30 EEEERP C[C@@H](C[N@H+](C)Cc1ccc(C#N)c(F)c1)NC(=O)C[NH+](C)C1CCC1 ZINC001439330788 1092015467 /nfs/dbraw/zinc/01/54/67/1092015467.db2.gz KJEGKXVVRQDWMG-AWEZNQCLSA-N 2 0 346.450 2.118 10 30 EEEERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001439509748 1092352413 /nfs/dbraw/zinc/35/24/13/1092352413.db2.gz GAXQFBUWOVXYQL-OALUTQOASA-N 2 0 342.487 2.227 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001440134682 1093200858 /nfs/dbraw/zinc/20/08/58/1093200858.db2.gz JSSIJKNCCMXFQN-ZBFHGGJFSA-N 2 0 327.900 2.155 10 30 EEEERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1C#N ZINC001448707310 1093774602 /nfs/dbraw/zinc/77/46/02/1093774602.db2.gz GMACDPUZWARCGF-ULQDDVLXSA-N 2 0 342.487 2.225 10 30 EEEERP C[C@@](C[NH2+]Cc1ccc(C#N)s1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001444141131 1098680426 /nfs/dbraw/zinc/68/04/26/1098680426.db2.gz NTBIIDTTZGELGV-SFHVURJKSA-N 2 0 346.500 2.090 10 30 EEEERP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001496627099 1101231633 /nfs/dbraw/zinc/23/16/33/1101231633.db2.gz ISVMOUVSPSDBOS-MOPGFXCFSA-N 2 0 342.487 2.130 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001495810542 1101625704 /nfs/dbraw/zinc/62/57/04/1101625704.db2.gz BMUWKZUJEVMTSN-INIZCTEOSA-N 2 0 349.906 2.374 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC/C=C\CC)C2)CC1 ZINC001480679494 1106869195 /nfs/dbraw/zinc/86/91/95/1106869195.db2.gz AALLCFPTNIOJJI-XFHJGTJQSA-N 2 0 331.504 2.126 10 30 EEEERP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001480703841 1106919306 /nfs/dbraw/zinc/91/93/06/1106919306.db2.gz VQOWJENUTCCFII-JKSUJKDBSA-N 2 0 339.443 2.474 10 30 EEEERP CN(CC[NH2+]Cc1cc(C#N)ccc1F)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001493583863 1108356372 /nfs/dbraw/zinc/35/63/72/1108356372.db2.gz KBYBNDMDAVTJOU-QGZVFWFLSA-N 2 0 346.450 2.120 10 30 EEEERP C#CC[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001499615832 1112413256 /nfs/dbraw/zinc/41/32/56/1112413256.db2.gz IOCAYOBQMYMFEF-FQEVSTJZSA-N 2 0 333.520 2.446 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CCCC=C)CC1 ZINC001505466208 1114001372 /nfs/dbraw/zinc/00/13/72/1114001372.db2.gz UOYPMHUIAZUGNB-IBGZPJMESA-N 2 0 331.504 2.221 10 30 EEEERP C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001505761160 1114175086 /nfs/dbraw/zinc/17/50/86/1114175086.db2.gz QMVFOEIYNXESFJ-IRXDYDNUSA-N 2 0 342.487 2.417 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+]Cc1cccc(C#N)c1 ZINC001568747548 1124760899 /nfs/dbraw/zinc/76/08/99/1124760899.db2.gz LNBHPTXACBLTIA-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001568800562 1124815798 /nfs/dbraw/zinc/81/57/98/1124815798.db2.gz LUGQDCAAMKTDRK-UHFFFAOYSA-N 2 0 345.531 2.350 10 30 EEEERP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569169846 1125142112 /nfs/dbraw/zinc/14/21/12/1125142112.db2.gz OVLODHTTWMNTNK-RTBURBONSA-N 2 0 331.504 2.006 10 30 EEEERP CC(C)C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)NCC[NH+](C)C ZINC000347253702 466513049 /nfs/dbraw/zinc/51/30/49/466513049.db2.gz RTTKHMGMXYSBMF-YJBOKZPZSA-N 2 0 330.476 2.301 10 30 EEEERP C=CC[C@@]1(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]1 ZINC000662792461 472252816 /nfs/dbraw/zinc/25/28/16/472252816.db2.gz BFABMCXWGDSDCQ-IBGZPJMESA-N 2 0 328.460 2.113 10 30 EEEERP CN(CC[NH2+]Cc1ccc(F)c(C#N)c1)C(=O)CCC[NH+]1CCCC1 ZINC001267110288 1178266404 /nfs/dbraw/zinc/26/64/04/1178266404.db2.gz YLZKITRVBDADSG-UHFFFAOYSA-N 2 0 346.450 2.121 10 30 EEEERP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001691427884 1178316195 /nfs/dbraw/zinc/31/61/95/1178316195.db2.gz GLXFZYXQGNMJPC-QRQLOZEOSA-N 2 0 331.504 2.101 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCc2ccccc2)CC1 ZINC001267154936 1178338542 /nfs/dbraw/zinc/33/85/42/1178338542.db2.gz NHNCUFHRRAQDPX-SFHVURJKSA-N 2 0 341.499 2.059 10 30 EEEERP C#CC[NH2+][C@@H](CNC(=O)c1ccccc1CC[NH+](C)C)c1ccccc1 ZINC001481368583 1181139521 /nfs/dbraw/zinc/13/95/21/1181139521.db2.gz LQDPLXQMKVSQFS-NRFANRHFSA-N 2 0 349.478 2.485 10 30 EEEERP C=C(C)C[NH2+]CC1(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCCC1 ZINC001481900690 1182915521 /nfs/dbraw/zinc/91/55/21/1182915521.db2.gz HILHNOAMJXGOJR-UHFFFAOYSA-N 2 0 339.443 2.476 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001482171741 1183499114 /nfs/dbraw/zinc/49/91/14/1183499114.db2.gz HOFPQEUYUBYWCK-ZWKOTPCHSA-N 2 0 341.499 2.435 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001268716724 1183636212 /nfs/dbraw/zinc/63/62/12/1183636212.db2.gz JKCCYJZRDRYABJ-HOTGVXAUSA-N 2 0 345.462 2.326 10 30 EEEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)CC1 ZINC001269416007 1184251783 /nfs/dbraw/zinc/25/17/83/1184251783.db2.gz NWVNOZRRQGRTCP-YOEHRIQHSA-N 2 0 345.491 2.383 10 30 EEEERP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CC=C(C)C)CC1 ZINC001270338783 1185030346 /nfs/dbraw/zinc/03/03/46/1185030346.db2.gz QKUQPPWBWFMTRG-UHFFFAOYSA-N 2 0 331.504 2.221 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CC3CCCC3)C2)CC1 ZINC001270847161 1185456524 /nfs/dbraw/zinc/45/65/24/1185456524.db2.gz LILYBJJJHBBJLH-OAQYLSRUSA-N 2 0 345.531 2.350 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001270911549 1185735880 /nfs/dbraw/zinc/73/58/80/1185735880.db2.gz ORFNQPSTRSHKBV-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCOCC1 ZINC001271072608 1185858856 /nfs/dbraw/zinc/85/88/56/1185858856.db2.gz GCTMWPCMSVNZAD-KRWDZBQOSA-N 2 0 337.508 2.080 10 30 EEEERP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271102078 1185887101 /nfs/dbraw/zinc/88/71/01/1185887101.db2.gz XELKZMUIRSSLER-CABCVRRESA-N 2 0 331.451 2.366 10 30 EEEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001271551431 1186304811 /nfs/dbraw/zinc/30/48/11/1186304811.db2.gz KZRPXPRMHVFDKP-INIZCTEOSA-N 2 0 339.443 2.428 10 30 EEEERP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001271772785 1186474751 /nfs/dbraw/zinc/47/47/51/1186474751.db2.gz VKSAXFZWCQVNCB-LJQANCHMSA-N 2 0 333.520 2.443 10 30 EEEERP CN(CC[N@H+](C)Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CCCC[NH+]1C ZINC001482607917 1187363921 /nfs/dbraw/zinc/36/39/21/1187363921.db2.gz RPERUWAGBKCNJC-GOSISDBHSA-N 2 0 346.450 2.072 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001482864570 1187783901 /nfs/dbraw/zinc/78/39/01/1187783901.db2.gz AMSLUQRMSNFENP-INIZCTEOSA-N 2 0 345.462 2.003 10 30 EEEERP C[C@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482888317 1187814851 /nfs/dbraw/zinc/81/48/51/1187814851.db2.gz IUDPFUPAGCRGME-HUUCEWRRSA-N 2 0 346.450 2.024 10 30 EEEERP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001671055084 1193610412 /nfs/dbraw/zinc/61/04/12/1193610412.db2.gz JUIFWQCLMMPAGW-SFHVURJKSA-N 2 0 333.520 2.445 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001409400910 1189625580 /nfs/dbraw/zinc/62/55/80/1189625580.db2.gz SONUBXWWEGRBAL-OLZOCXBDSA-N 2 0 333.823 2.116 10 30 EEEERP C=C(Br)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001409835931 1190667083 /nfs/dbraw/zinc/66/70/83/1190667083.db2.gz VZJIFIWUEBTXMR-KGLIPLIRSA-N 2 0 346.313 2.254 10 30 EEEERP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001483967977 1191135891 /nfs/dbraw/zinc/13/58/91/1191135891.db2.gz RGCAWLIHJQIPHO-MSOLQXFVSA-N 2 0 349.519 2.177 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001484143713 1191233273 /nfs/dbraw/zinc/23/32/73/1191233273.db2.gz OUEQOWHRMAICOT-MSOLQXFVSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001484168373 1191255069 /nfs/dbraw/zinc/25/50/69/1191255069.db2.gz XGLCYVBSPCBCGX-QUCCMNQESA-N 2 0 333.520 2.350 10 30 EEEERP CC#CC[NH2+]C1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001484928052 1191574085 /nfs/dbraw/zinc/57/40/85/1191574085.db2.gz DVLABADIQUZYSI-UHFFFAOYSA-N 2 0 327.472 2.356 10 30 EEEERP CC[C@H](C(=O)NCC1([NH2+]CC#Cc2ccccc2)CCC1)[NH+](C)C ZINC001273107440 1194390937 /nfs/dbraw/zinc/39/09/37/1194390937.db2.gz YSQOOHUBVSRMDG-GOSISDBHSA-N 2 0 327.472 2.007 10 30 EEEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001691682288 1197488169 /nfs/dbraw/zinc/48/81/69/1197488169.db2.gz HNCGFWFDXVGFMD-IEBWSBKVSA-N 2 0 333.520 2.489 10 30 EEEERP Cc1c(Cl)cnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C#N ZINC000866012037 1198454155 /nfs/dbraw/zinc/45/41/55/1198454155.db2.gz OWJQPSNBMGJEAZ-ZIAGYGMSSA-N 2 0 335.883 2.091 10 30 EEEERP C=C(Br)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001410949473 1198615163 /nfs/dbraw/zinc/61/51/63/1198615163.db2.gz FXOQPXGUIKDSNR-UONOGXRCSA-N 2 0 346.313 2.110 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000876951419 1199828025 /nfs/dbraw/zinc/82/80/25/1199828025.db2.gz MMWVBZZVQYJIST-KRWDZBQOSA-N 2 0 346.862 2.109 10 30 EEEERP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cccc(C#N)c2[O-])CC1 ZINC000866232540 1201472205 /nfs/dbraw/zinc/47/22/05/1201472205.db2.gz NCKHNRBBBBJZFF-INIZCTEOSA-N 2 0 330.476 2.332 10 30 EEEERP C#CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001691726952 1204226736 /nfs/dbraw/zinc/22/67/36/1204226736.db2.gz RLXGMQVEIUSBKL-SFHVURJKSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001275185458 1205277620 /nfs/dbraw/zinc/27/76/20/1205277620.db2.gz YJSXFLSZWURLLW-PMACEKPBSA-N 2 0 345.531 2.446 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001491473345 1259118277 /nfs/dbraw/zinc/11/82/77/1259118277.db2.gz JGPYNJDGJIELJO-MAUKXSAKSA-N 2 0 328.460 2.027 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)[C@@H](C)C1 ZINC001277786036 1304484002 /nfs/dbraw/zinc/48/40/02/1304484002.db2.gz SBJIXMYLRCWHSU-PKOBYXMFSA-N 2 0 327.472 2.111 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCC3CCC3)C[C@H]2C)CC1 ZINC001278425087 1310208346 /nfs/dbraw/zinc/20/83/46/1310208346.db2.gz ZGZOUHSGFCYAMJ-YLJYHZDGSA-N 2 0 345.531 2.491 10 30 EEEERP CC(C)C1CCC([NH+]2CCN(C(=O)NCC#CC[NH+](C)C)CC2)CC1 ZINC001251707913 1317490790 /nfs/dbraw/zinc/49/07/90/1317490790.db2.gz IQPVNIYHDFWKPP-UHFFFAOYSA-N 2 0 348.535 2.093 10 30 EEEERP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001278667643 1317607944 /nfs/dbraw/zinc/60/79/44/1317607944.db2.gz HFOWHVJVZRCVPH-VQIMIIECSA-N 2 0 330.476 2.240 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CC=C(C)C)C2)CC1 ZINC001279044626 1319074875 /nfs/dbraw/zinc/07/48/75/1319074875.db2.gz HNXLNGURDUNXGZ-MJGOQNOKSA-N 2 0 331.504 2.124 10 30 EEEERP C=C(C)CNCc1nc2c(s1)CCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001264748101 1322801987 /nfs/dbraw/zinc/80/19/87/1322801987.db2.gz CZNUTSUOCXNZAZ-UHFFFAOYSA-N 2 0 348.516 2.178 10 30 EEEERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001265230478 1322998871 /nfs/dbraw/zinc/99/88/71/1322998871.db2.gz GGJDYXRXBKWNSQ-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001265493872 1323182613 /nfs/dbraw/zinc/18/26/13/1323182613.db2.gz FYUMZOIZSBAOIC-UFYCRDLUSA-N 2 0 341.499 2.395 10 30 EEEERP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265596572 1323253857 /nfs/dbraw/zinc/25/38/57/1323253857.db2.gz GDOLEQLEWAXXNO-MOPGFXCFSA-N 2 0 333.520 2.348 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](CC#Cc1ccccc1)C1CC1 ZINC001266174610 1323742320 /nfs/dbraw/zinc/74/23/20/1323742320.db2.gz NYJDSNNJKBYHPT-UHFFFAOYSA-N 2 0 341.499 2.349 10 30 EEEERP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)O2 ZINC001280930578 1324647801 /nfs/dbraw/zinc/64/78/01/1324647801.db2.gz ZFSKPJUNCRKIKU-KRWDZBQOSA-N 2 0 349.519 2.177 10 30 EEEERP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001281098045 1324760705 /nfs/dbraw/zinc/76/07/05/1324760705.db2.gz AOAZQBYVDPYQQK-FQEVSTJZSA-N 2 0 331.504 2.200 10 30 EEEERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H]1C ZINC001283925104 1326322366 /nfs/dbraw/zinc/32/23/66/1326322366.db2.gz BZWLZIDWVSDLRK-AZUAARDMSA-N 2 0 341.499 2.349 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCC(C)C)C[C@H]2C)CC1 ZINC001284033283 1326372666 /nfs/dbraw/zinc/37/26/66/1326372666.db2.gz OHXVVPNPMPLUDQ-IEBWSBKVSA-N 2 0 333.520 2.347 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)C(C)(C)C1 ZINC001284349299 1326514269 /nfs/dbraw/zinc/51/42/69/1326514269.db2.gz XMRBTZDMNQDSRN-LJQANCHMSA-N 2 0 341.499 2.207 10 30 EEEERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC001284959779 1326796436 /nfs/dbraw/zinc/79/64/36/1326796436.db2.gz OTSDMGRIFSBCIW-UHFFFAOYSA-N 2 0 340.471 2.148 10 30 EEEERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001491578835 1330171624 /nfs/dbraw/zinc/17/16/24/1330171624.db2.gz HLESIZUDFWANJZ-JKSUJKDBSA-N 2 0 347.890 2.128 10 30 EEEERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2Cl)C1)[NH+](C)C ZINC001317067392 1332067739 /nfs/dbraw/zinc/06/77/39/1332067739.db2.gz WFAKKRVYVMQFOB-WMZOPIPTSA-N 2 0 347.890 2.222 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CCC2CC2)CC1 ZINC001317199404 1332128041 /nfs/dbraw/zinc/12/80/41/1332128041.db2.gz KMLXPRBCQHTMMU-LJQANCHMSA-N 2 0 331.504 2.102 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317343199 1332187322 /nfs/dbraw/zinc/18/73/22/1332187322.db2.gz KCZXDEZTTLQDEY-IEBWSBKVSA-N 2 0 327.472 2.141 10 30 EEEERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001317413453 1332218923 /nfs/dbraw/zinc/21/89/23/1332218923.db2.gz BHSDZWDZTIHPKT-DOTOQJQBSA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC/C=C/CCC)C2)CC1 ZINC001318300966 1332505048 /nfs/dbraw/zinc/50/50/48/1332505048.db2.gz IIWSABICPLADLH-GHOSXJJBSA-N 2 0 331.504 2.269 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001318300964 1332505697 /nfs/dbraw/zinc/50/56/97/1332505697.db2.gz IIVQGDOTCDGSKS-HKUYNNGSSA-N 2 0 333.520 2.204 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001318603239 1332566503 /nfs/dbraw/zinc/56/65/03/1332566503.db2.gz OGUVTBZURNEXEU-WMZOPIPTSA-N 2 0 347.890 2.128 10 30 EEEERP C#CCC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@H]1C ZINC001318758088 1332589811 /nfs/dbraw/zinc/58/98/11/1332589811.db2.gz KTEZYKXFKOUYEI-QUCCMNQESA-N 2 0 333.520 2.396 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]CC#Cc1ccccc1 ZINC001319774729 1332764432 /nfs/dbraw/zinc/76/44/32/1332764432.db2.gz NKBGBZSVHNLJOA-HXUWFJFHSA-N 2 0 341.499 2.351 10 30 EEEERP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001319869478 1332789264 /nfs/dbraw/zinc/78/92/64/1332789264.db2.gz OITZDEYMEANSFV-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001320149672 1332838396 /nfs/dbraw/zinc/83/83/96/1332838396.db2.gz HEHPIDTZXINTSZ-DOTOQJQBSA-N 2 0 339.443 2.332 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)C1([NH+](C)C)CCC1 ZINC001320755811 1332946702 /nfs/dbraw/zinc/94/67/02/1332946702.db2.gz FBMDTYKBBKRNRU-UHFFFAOYSA-N 2 0 345.462 2.100 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001321877626 1333172379 /nfs/dbraw/zinc/17/23/79/1333172379.db2.gz AFXBWKFLTDRHNX-LPHOPBHVSA-N 2 0 345.462 2.146 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001323048186 1333374963 /nfs/dbraw/zinc/37/49/63/1333374963.db2.gz QZFDKKLGOJQITQ-OALUTQOASA-N 2 0 331.504 2.291 10 30 EEEERP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCCCC)CC1 ZINC001324438942 1333683636 /nfs/dbraw/zinc/68/36/36/1333683636.db2.gz CEZIMJBYHWJPMY-UHFFFAOYSA-N 2 0 331.504 2.199 10 30 EEEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001324960925 1333797126 /nfs/dbraw/zinc/79/71/26/1333797126.db2.gz LBIHNAQDKSFRMK-AZUAARDMSA-N 2 0 333.520 2.491 10 30 EEEERP C=CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CCOCC1 ZINC001325026111 1333814157 /nfs/dbraw/zinc/81/41/57/1333814157.db2.gz NCIHBKBXFJATER-GOSISDBHSA-N 2 0 345.487 2.120 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001325435612 1333885618 /nfs/dbraw/zinc/88/56/18/1333885618.db2.gz DWILAYKRMSAIQZ-YLJYHZDGSA-N 2 0 341.499 2.254 10 30 EEEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001326889073 1334176914 /nfs/dbraw/zinc/17/69/14/1334176914.db2.gz FYMRMGYUSNLWSA-GOSISDBHSA-N 2 0 325.472 2.404 10 30 EEEERP C#CCC[NH+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001333433635 1336046515 /nfs/dbraw/zinc/04/65/15/1336046515.db2.gz VXYVZUWKKCTUIA-HXUWFJFHSA-N 2 0 339.483 2.451 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001567183806 1342706526 /nfs/dbraw/zinc/70/65/26/1342706526.db2.gz PIBGWDKQVLROAL-FQEVSTJZSA-N 2 0 341.499 2.331 10 30 EEEERP CC[C@H](C(=O)NCC1([NH2+]CC#Cc2cccc(Cl)c2)CC1)[NH+](C)C ZINC001569405662 1342865657 /nfs/dbraw/zinc/86/56/57/1342865657.db2.gz WPDPZHLCUDRNEY-QGZVFWFLSA-N 2 0 347.890 2.270 10 30 EEEERP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H](F)C[NH+](CC)CC)CC2)CC1 ZINC001571669273 1343267497 /nfs/dbraw/zinc/26/74/97/1343267497.db2.gz VFTJOKNPFVRALL-KRWDZBQOSA-N 2 0 337.483 2.050 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](CC)C[C@@H]1C)C(C)C ZINC001628521456 1352536633 /nfs/dbraw/zinc/53/66/33/1352536633.db2.gz PCEJJHQAIQIJSC-ROUUACIJSA-N 2 0 336.524 2.421 10 30 EEEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001656142960 1354207800 /nfs/dbraw/zinc/20/78/00/1354207800.db2.gz IKYMRGGEFXUPAH-IYBDPMFKSA-N 2 0 339.443 2.332 10 30 EEEERP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](F)C[NH+](CC)CC)C2)CC1 ZINC001656394530 1354227472 /nfs/dbraw/zinc/22/74/72/1354227472.db2.gz VXAINWAWXLFSSB-IAGOWNOFSA-N 2 0 337.483 2.003 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@@H]21 ZINC001656650613 1354257327 /nfs/dbraw/zinc/25/73/27/1354257327.db2.gz IEHYXSJLCHNEKT-MISYRCLQSA-N 2 0 345.531 2.491 10 30 EEEERP N#Cc1ccc(C[N@@H+](CCCNC(=O)C[NH+]2CCCC2)C2CC2)s1 ZINC001660753713 1354532346 /nfs/dbraw/zinc/53/23/46/1354532346.db2.gz XQALFYVNBINAKD-UHFFFAOYSA-N 2 0 346.500 2.186 10 30 EEEERP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001662533364 1354804394 /nfs/dbraw/zinc/80/43/94/1354804394.db2.gz FYHYNVIIVGXYFO-HKUYNNGSSA-N 2 0 349.519 2.177 10 30 EEEERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001665793172 1355389538 /nfs/dbraw/zinc/38/95/38/1355389538.db2.gz NOLQRHUXGOYTLP-ATZDWAIDSA-N 2 0 345.462 2.002 10 30 EEEERP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001667416588 1355737300 /nfs/dbraw/zinc/73/73/00/1355737300.db2.gz AKPXSWDSAXJBPO-HKUYNNGSSA-N 2 0 333.520 2.301 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)C[N@H+](C)C1CCC1 ZINC001669317099 1356143854 /nfs/dbraw/zinc/14/38/54/1356143854.db2.gz KVPNKLIMZFJRGX-OAHLLOKOSA-N 2 0 347.890 2.270 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001671862727 1356426335 /nfs/dbraw/zinc/42/63/35/1356426335.db2.gz GYFUTEMQHDJOMY-MSOLQXFVSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001674352948 1356823387 /nfs/dbraw/zinc/82/33/87/1356823387.db2.gz JKHBWGCWMZFYOT-LJQANCHMSA-N 2 0 333.520 2.445 10 30 EEEERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001674720832 1356883306 /nfs/dbraw/zinc/88/33/06/1356883306.db2.gz DCABMVFRCDFYJX-JKSUJKDBSA-N 2 0 345.462 2.002 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698862227 1405118465 /nfs/dbraw/zinc/11/84/65/1405118465.db2.gz WSCGHCQUUJFCHX-LJQANCHMSA-N 2 0 341.499 2.351 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CCCF)CC1 ZINC001698922078 1405163119 /nfs/dbraw/zinc/16/31/19/1405163119.db2.gz AJGJLPSVDICKLF-GOSISDBHSA-N 2 0 337.483 2.052 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940832276 779377917 /nfs/dbraw/zinc/37/79/17/779377917.db2.gz WPAHSJFXXJLTLF-QGZVFWFLSA-N 2 0 331.504 2.102 10 30 EEEERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000925843102 779400403 /nfs/dbraw/zinc/40/04/03/779400403.db2.gz CKOIWBWFCVVDSG-KRWDZBQOSA-N 2 0 330.476 2.315 10 30 EEEERP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940972588 779596460 /nfs/dbraw/zinc/59/64/60/779596460.db2.gz OBFJDWOMNVZZAP-ROUUACIJSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941074691 779793325 /nfs/dbraw/zinc/79/33/25/779793325.db2.gz FFLYLHJIQJPQGE-QZTJIDSGSA-N 2 0 333.520 2.489 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075405 779794902 /nfs/dbraw/zinc/79/49/02/779794902.db2.gz KMYWNOHNQYZARX-QZTJIDSGSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941137869 779946340 /nfs/dbraw/zinc/94/63/40/779946340.db2.gz FRXNAKIGUMWODB-SFHVURJKSA-N 2 0 333.520 2.347 10 30 EEEERP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC000923494421 789666046 /nfs/dbraw/zinc/66/60/46/789666046.db2.gz XKBOMNPPHCCXOY-BPQIPLTHSA-N 2 0 348.487 2.080 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437321080 1089482305 /nfs/dbraw/zinc/48/23/05/1089482305.db2.gz IZGNOQUESIXUCL-RBUKOAKNSA-N 2 0 342.487 2.415 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001438753871 1091315211 /nfs/dbraw/zinc/31/52/11/1091315211.db2.gz NNWVOMQUHWXGBK-HOTGVXAUSA-N 2 0 327.900 2.488 10 30 EEEERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001441878011 1095999194 /nfs/dbraw/zinc/99/91/94/1095999194.db2.gz RONWNSHMKUYVCN-QUCCMNQESA-N 2 0 340.471 2.123 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001442249568 1096551820 /nfs/dbraw/zinc/55/18/20/1096551820.db2.gz FMURNGABKLBDEI-QFBILLFUSA-N 2 0 342.487 2.415 10 30 EEEERP C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001444619742 1099445730 /nfs/dbraw/zinc/44/57/30/1099445730.db2.gz BNSJCZHWTZVMDV-AWEZNQCLSA-N 2 0 346.450 2.118 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480286030 1099993290 /nfs/dbraw/zinc/99/32/90/1099993290.db2.gz NWASGINTRZKPCP-IEBWSBKVSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CC2(CCC2)C1 ZINC001496717996 1101332106 /nfs/dbraw/zinc/33/21/06/1101332106.db2.gz GZBFNZUZNJZVIW-SFHVURJKSA-N 2 0 331.504 2.055 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001497968787 1103434016 /nfs/dbraw/zinc/43/40/16/1103434016.db2.gz JMHAODBIEVCJAR-QAPCUYQASA-N 2 0 349.906 2.372 10 30 EEEERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001447872736 1103488656 /nfs/dbraw/zinc/48/86/56/1103488656.db2.gz SGAKZNBBOXFCFN-KBPBESRZSA-N 2 0 346.450 2.164 10 30 EEEERP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001499410742 1112273465 /nfs/dbraw/zinc/27/34/65/1112273465.db2.gz XECWVGMZKBZKMO-UHFFFAOYSA-N 2 0 347.890 2.272 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001507011419 1115052824 /nfs/dbraw/zinc/05/28/24/1115052824.db2.gz DDYZEGCTCHYQPB-HZPDHXFCSA-N 2 0 327.900 2.438 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001507081246 1115098146 /nfs/dbraw/zinc/09/81/46/1115098146.db2.gz BKLKMPAGNVCERX-VQIMIIECSA-N 2 0 342.487 2.369 10 30 EEEERP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CCN1C(=O)CCC[NH+](C)C ZINC001507291376 1115176834 /nfs/dbraw/zinc/17/68/34/1115176834.db2.gz VLNXLIRWCJFCKL-KBXCAEBGSA-N 2 0 346.450 2.118 10 30 EEEERP C=CCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001508084241 1115416163 /nfs/dbraw/zinc/41/61/63/1115416163.db2.gz GVLFEIRLYLJMAA-KBPBESRZSA-N 2 0 333.398 2.027 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001568392910 1124462312 /nfs/dbraw/zinc/46/23/12/1124462312.db2.gz ZFYNLMAMZSWBPE-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1CC ZINC001569343770 1125244734 /nfs/dbraw/zinc/24/47/34/1125244734.db2.gz YYNQLKOMBVKNJZ-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)C(=O)NCC[NH+](C)C ZINC000358455256 465132430 /nfs/dbraw/zinc/13/24/30/465132430.db2.gz XMEPYTYXYYYEIQ-KDOFPFPSSA-N 2 0 348.466 2.440 10 30 EEEERP C=CC[C@]1(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CCC[NH2+]1 ZINC000662682158 472203614 /nfs/dbraw/zinc/20/36/14/472203614.db2.gz HBGDSKHNFCISCG-HXUWFJFHSA-N 2 0 343.471 2.280 10 30 EEEERP C=CC[C@@]1(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCC[NH2+]1 ZINC000662819809 472265939 /nfs/dbraw/zinc/26/59/39/472265939.db2.gz OWTPDRQYEDCDGI-ZVDOUQERSA-N 2 0 339.483 2.418 10 30 EEEERP Cc1ccc([C@@H](CNC(=[NH2+])NC[C@H]2CCCO2)[NH+]2CCCC2)cc1 ZINC000066244112 681445742 /nfs/dbraw/zinc/44/57/42/681445742.db2.gz BMBXVVCDBUZIDU-QZTJIDSGSA-N 2 0 330.476 2.215 10 30 EEEERP C=C(Cl)C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001485652827 1191871577 /nfs/dbraw/zinc/87/15/77/1191871577.db2.gz GHFZFLXIMNHYBH-JYJNAYRXSA-N 2 0 339.911 2.440 10 30 EEEERP C#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001485779281 1191948544 /nfs/dbraw/zinc/94/85/44/1191948544.db2.gz YXJZGFWCMOGZFA-QRQLOZEOSA-N 2 0 327.472 2.187 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266891388 1177726109 /nfs/dbraw/zinc/72/61/09/1177726109.db2.gz OWWUOUWPVYHQOV-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1 ZINC001266960292 1177910876 /nfs/dbraw/zinc/91/08/76/1177910876.db2.gz HNHBSOMZNGQFQM-KRWDZBQOSA-N 2 0 327.472 2.007 10 30 EEEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001691367600 1177972684 /nfs/dbraw/zinc/97/26/84/1177972684.db2.gz RWIALKYMDJODOD-QYZOEREBSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001267042181 1178137516 /nfs/dbraw/zinc/13/75/16/1178137516.db2.gz XCSRSCBANMWHRY-MSOLQXFVSA-N 2 0 331.504 2.102 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267685037 1180157654 /nfs/dbraw/zinc/15/76/54/1180157654.db2.gz XDSVTJPFKAOUSG-APWZRJJASA-N 2 0 337.483 2.003 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001267937293 1180789609 /nfs/dbraw/zinc/78/96/09/1180789609.db2.gz YGSJUMDCNRCVHG-LJQANCHMSA-N 2 0 327.472 2.289 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC/C=C\CC)CC1 ZINC001267970298 1180875445 /nfs/dbraw/zinc/87/54/45/1180875445.db2.gz RLULJHLVLVNEDC-SFFCAUCYSA-N 2 0 331.504 2.269 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CCC=C)CC1 ZINC001268164526 1181885476 /nfs/dbraw/zinc/88/54/76/1181885476.db2.gz AISYWXMHDIOJFF-IBGZPJMESA-N 2 0 331.504 2.269 10 30 EEEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001481831593 1182764736 /nfs/dbraw/zinc/76/47/36/1182764736.db2.gz JTRQPFUPJSZJOB-OAHLLOKOSA-N 2 0 327.432 2.332 10 30 EEEERP C[NH+](C)CCC(=O)NC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001481904340 1182917921 /nfs/dbraw/zinc/91/79/21/1182917921.db2.gz DGNPJKLASWKRBR-UHFFFAOYSA-N 2 0 328.460 2.029 10 30 EEEERP C#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001482042220 1183213669 /nfs/dbraw/zinc/21/36/69/1183213669.db2.gz FVCQVKLWPDLCDX-LJQANCHMSA-N 2 0 331.504 2.245 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001268716495 1183636173 /nfs/dbraw/zinc/63/61/73/1183636173.db2.gz FDDXAJIDJARSCH-ICSRJNTNSA-N 2 0 341.499 2.253 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCCC)C2CCCC2)CC1 ZINC001270457786 1185108492 /nfs/dbraw/zinc/10/84/92/1185108492.db2.gz GVXUAYKAXLIOHK-LJQANCHMSA-N 2 0 333.520 2.396 10 30 EEEERP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001483812297 1191057064 /nfs/dbraw/zinc/05/70/64/1191057064.db2.gz NHHSIRXSJPYWPS-MOPGFXCFSA-N 2 0 331.504 2.341 10 30 EEEERP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001484322098 1191304090 /nfs/dbraw/zinc/30/40/90/1191304090.db2.gz AONHMNUFJNYNBJ-SFHVURJKSA-N 2 0 333.520 2.465 10 30 EEEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001484820127 1191539657 /nfs/dbraw/zinc/53/96/57/1191539657.db2.gz GYUQWNAVXBYJEC-SFHVURJKSA-N 2 0 333.520 2.491 10 30 EEEERP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001484833177 1191546292 /nfs/dbraw/zinc/54/62/92/1191546292.db2.gz YHWJEVLYOVLBHL-LJQANCHMSA-N 2 0 331.504 2.363 10 30 EEEERP CC#CC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001484923436 1191576434 /nfs/dbraw/zinc/57/64/34/1191576434.db2.gz PMWPYVQUNPYNHS-UHFFFAOYSA-N 2 0 341.499 2.155 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001484987615 1191603780 /nfs/dbraw/zinc/60/37/80/1191603780.db2.gz DEAPVXXWSJWLOI-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC001486411565 1193919616 /nfs/dbraw/zinc/91/96/16/1193919616.db2.gz SWGKAEDOIKTLMJ-HNNXBMFYSA-N 2 0 336.505 2.192 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001273053145 1194357615 /nfs/dbraw/zinc/35/76/15/1194357615.db2.gz UUVOLVZIVSKMDW-INIZCTEOSA-N 2 0 342.487 2.275 10 30 EEEERP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cccc(C#N)c2[O-])CC1 ZINC000866232542 1201472188 /nfs/dbraw/zinc/47/21/88/1201472188.db2.gz NCKHNRBBBBJZFF-MRXNPFEDSA-N 2 0 330.476 2.332 10 30 EEEERP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000883176075 1202026193 /nfs/dbraw/zinc/02/61/93/1202026193.db2.gz VBIXYEYTBARRKO-BJLQDIEVSA-N 2 0 330.472 2.371 10 30 EEEERP C=CCC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883178739 1202026478 /nfs/dbraw/zinc/02/64/78/1202026478.db2.gz DAFQRBRWRHYTLP-MOPGFXCFSA-N 2 0 344.503 2.437 10 30 EEEERP CC1(C)[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925610015 1206135615 /nfs/dbraw/zinc/13/56/15/1206135615.db2.gz YCGZCBFZQRADOI-NEWSRXKRSA-N 2 0 339.487 2.288 10 30 EEEERP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858475 1206162213 /nfs/dbraw/zinc/16/22/13/1206162213.db2.gz SWRRIJXPFGAPFV-AEFFLSMTSA-N 2 0 339.439 2.211 10 30 EEEERP C#CCC[NH2+]C1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001491370615 1259009254 /nfs/dbraw/zinc/00/92/54/1259009254.db2.gz UNVLCGFYPCXXNL-UHFFFAOYSA-N 2 0 327.472 2.402 10 30 EEEERP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001490440499 1291310466 /nfs/dbraw/zinc/31/04/66/1291310466.db2.gz LILCHQKEAACYKR-PKOBYXMFSA-N 2 0 349.519 2.177 10 30 EEEERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001490679940 1291561466 /nfs/dbraw/zinc/56/14/66/1291561466.db2.gz QCCIIHNRLFHGLN-IRXDYDNUSA-N 2 0 346.500 2.088 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC001211222678 1295762635 /nfs/dbraw/zinc/76/26/35/1295762635.db2.gz MORNREHCCPXQOW-KRWDZBQOSA-N 2 0 336.524 2.421 10 30 EEEERP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCO1 ZINC001276791945 1297753218 /nfs/dbraw/zinc/75/32/18/1297753218.db2.gz YVAIQUNLASNWEM-FUHWJXTLSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001277294270 1302231133 /nfs/dbraw/zinc/23/11/33/1302231133.db2.gz JNZXNRIZIUNGSY-MOPGFXCFSA-N 2 0 331.504 2.199 10 30 EEEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCOCC1 ZINC001278726608 1317883353 /nfs/dbraw/zinc/88/33/53/1317883353.db2.gz YUWBKZKNMOTPMX-QZTJIDSGSA-N 2 0 349.519 2.225 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001279012612 1318992229 /nfs/dbraw/zinc/99/22/29/1318992229.db2.gz PAXFUUVJLZMXSL-HKUYNNGSSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001279012613 1318992483 /nfs/dbraw/zinc/99/24/83/1318992483.db2.gz PAXFUUVJLZMXSL-IEBWSBKVSA-N 2 0 341.499 2.254 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H](C)CC)C2)CC1 ZINC001263932920 1322556371 /nfs/dbraw/zinc/55/63/71/1322556371.db2.gz FHUSNFXMYVMVFZ-JENIJYKNSA-N 2 0 333.520 2.252 10 30 EEEERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001264408663 1322693559 /nfs/dbraw/zinc/69/35/59/1322693559.db2.gz PVSGHHNVZZOWQK-ZCNNSNEGSA-N 2 0 341.499 2.109 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001264436483 1322702043 /nfs/dbraw/zinc/70/20/43/1322702043.db2.gz BYNAHVYJIYWZDD-WDSOQIARSA-N 2 0 327.472 2.187 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265397264 1323128012 /nfs/dbraw/zinc/12/80/12/1323128012.db2.gz VKEZOBLEWWCFNE-GOSISDBHSA-N 2 0 333.520 2.301 10 30 EEEERP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265596575 1323253541 /nfs/dbraw/zinc/25/35/41/1323253541.db2.gz GDOLEQLEWAXXNO-RTBURBONSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001266229606 1323805633 /nfs/dbraw/zinc/80/56/33/1323805633.db2.gz JWNLFOBAWGVPBZ-INIZCTEOSA-N 2 0 339.443 2.428 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001279598318 1323953232 /nfs/dbraw/zinc/95/32/32/1323953232.db2.gz VTNDVYHZUVZCCK-RBUKOAKNSA-N 2 0 349.519 2.130 10 30 EEEERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001276610794 1324776767 /nfs/dbraw/zinc/77/67/67/1324776767.db2.gz DVYNHGHYPOTCCP-UXHICEINSA-N 2 0 339.483 2.007 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001281967523 1325541671 /nfs/dbraw/zinc/54/16/71/1325541671.db2.gz HUNDBVNCUGAQRX-RTBURBONSA-N 2 0 333.520 2.443 10 30 EEEERP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001282957980 1325853367 /nfs/dbraw/zinc/85/33/67/1325853367.db2.gz JWJQEPJGYQMVHS-GBESFXJTSA-N 2 0 331.504 2.102 10 30 EEEERP C=C(C)C[NH2+][C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001284148079 1326435172 /nfs/dbraw/zinc/43/51/72/1326435172.db2.gz DWQCCFVCOKAYSY-RBUKOAKNSA-N 2 0 329.488 2.364 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001284199950 1326457521 /nfs/dbraw/zinc/45/75/21/1326457521.db2.gz YJASOULOZWGLPR-QZTJIDSGSA-N 2 0 333.520 2.396 10 30 EEEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001284738499 1326690110 /nfs/dbraw/zinc/69/01/10/1326690110.db2.gz YZRQPCZGWAIZTG-KBPBESRZSA-N 2 0 335.414 2.273 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001492027521 1330452704 /nfs/dbraw/zinc/45/27/04/1330452704.db2.gz WYQXRGCUWJBFPP-HZSPNIEDSA-N 2 0 346.313 2.110 10 30 EEEERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001492128392 1330981690 /nfs/dbraw/zinc/98/16/90/1330981690.db2.gz RXTVCOGDNWVYJA-NVXWUHKLSA-N 2 0 347.890 2.128 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001317090245 1332074863 /nfs/dbraw/zinc/07/48/63/1332074863.db2.gz QKKXNXARVFYBPR-IYARVYRRSA-N 2 0 347.890 2.270 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CC3CCC3)CCCC2)CC1 ZINC001318669359 1332574826 /nfs/dbraw/zinc/57/48/26/1332574826.db2.gz CXRBWLJKFDFRPD-UHFFFAOYSA-N 2 0 331.504 2.150 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001318999905 1332635130 /nfs/dbraw/zinc/63/51/30/1332635130.db2.gz GMVOJYOFDKXCFU-PMACEKPBSA-N 2 0 339.483 2.433 10 30 EEEERP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001319271380 1332673923 /nfs/dbraw/zinc/67/39/23/1332673923.db2.gz ZUIVVKLPAMZYFF-QFBILLFUSA-N 2 0 347.478 2.105 10 30 EEEERP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001325056383 1333820631 /nfs/dbraw/zinc/82/06/31/1333820631.db2.gz ZANYNGZVMAWAND-HOTGVXAUSA-N 2 0 343.462 2.368 10 30 EEEERP C=CCOCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001325897966 1333987903 /nfs/dbraw/zinc/98/79/03/1333987903.db2.gz HKCIBVBAYHDHBE-QRVBRYPASA-N 2 0 349.519 2.129 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CC#Cc2ccccc2)CC1 ZINC001673988608 1356768008 /nfs/dbraw/zinc/76/80/08/1356768008.db2.gz HLWIOLXKYGDYLD-UHFFFAOYSA-N 2 0 341.499 2.351 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001567611946 1342794021 /nfs/dbraw/zinc/79/40/21/1342794021.db2.gz ZSWWQUXLSJHYPU-FQEVSTJZSA-N 2 0 339.483 2.067 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676017868 1357089377 /nfs/dbraw/zinc/08/93/77/1357089377.db2.gz CXXBFCFAZVQAQH-HOCLYGCPSA-N 2 0 346.450 2.024 10 30 EEEERP C=CCOCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001571502099 1343220419 /nfs/dbraw/zinc/22/04/19/1343220419.db2.gz ZZIZTDVGQOYHHR-NLWGTHIKSA-N 2 0 349.519 2.175 10 30 EEEERP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001676365137 1357141026 /nfs/dbraw/zinc/14/10/26/1357141026.db2.gz SQOVWZJIFGZXKF-QUCCMNQESA-N 2 0 341.499 2.349 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1ccnc1CC ZINC001657063425 1354314125 /nfs/dbraw/zinc/31/41/25/1354314125.db2.gz OAVRYUYXFXHCAO-SJORKVTESA-N 2 0 330.476 2.343 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001661512056 1354647686 /nfs/dbraw/zinc/64/76/86/1354647686.db2.gz XAGFYHKANBQAFV-QAQDUYKDSA-N 2 0 347.890 2.269 10 30 EEEERP C#CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001661554846 1354657404 /nfs/dbraw/zinc/65/74/04/1354657404.db2.gz HDNIYQYPPUMHSR-QZTJIDSGSA-N 2 0 333.520 2.301 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001664111285 1355095179 /nfs/dbraw/zinc/09/51/79/1355095179.db2.gz FIYFZSVSHDLAMN-UHFFFAOYSA-N 2 0 334.489 2.042 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCCC=C)CC1 ZINC001667768695 1355811182 /nfs/dbraw/zinc/81/11/82/1355811182.db2.gz AZTJORMNBFUQFO-RTBURBONSA-N 2 0 331.504 2.172 10 30 EEEERP C=CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001675554076 1357005104 /nfs/dbraw/zinc/00/51/04/1357005104.db2.gz VUFUULJKKZALOJ-NNZMDNLPSA-N 2 0 331.504 2.123 10 30 EEEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001692121013 1404983033 /nfs/dbraw/zinc/98/30/33/1404983033.db2.gz MFAWJSWHEKMEGE-DLBZAZTESA-N 2 0 325.472 2.050 10 30 EEEERP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001699785285 1405482978 /nfs/dbraw/zinc/48/29/78/1405482978.db2.gz KEDHGMZAUABCBS-INIZCTEOSA-N 2 0 325.472 2.003 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCOCC1 ZINC001699884035 1405550196 /nfs/dbraw/zinc/55/01/96/1405550196.db2.gz AJIMGILZPDDYNT-ROUUACIJSA-N 2 0 349.519 2.225 10 30 EEEERP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940972587 779595743 /nfs/dbraw/zinc/59/57/43/779595743.db2.gz OBFJDWOMNVZZAP-QZTJIDSGSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941075221 779795053 /nfs/dbraw/zinc/79/50/53/779795053.db2.gz ILASYAMJGUFPKI-ZWKOTPCHSA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000914100582 794868020 /nfs/dbraw/zinc/86/80/20/794868020.db2.gz HLROPLWIYXCFOT-QZTJIDSGSA-N 2 0 348.535 2.141 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001437369451 1089606464 /nfs/dbraw/zinc/60/64/64/1089606464.db2.gz BLGZKRYJYVBTCZ-AYOQOUSVSA-N 2 0 342.487 2.273 10 30 EEEERP C[C@@](C[NH2+]Cc1ccc(C#N)cc1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001438429338 1090927824 /nfs/dbraw/zinc/92/78/24/1090927824.db2.gz SCNYNFMRLWDREL-FQEVSTJZSA-N 2 0 340.471 2.029 10 30 EEEERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001438770833 1091353942 /nfs/dbraw/zinc/35/39/42/1091353942.db2.gz IYUWVWGGEIIZCT-LPHOPBHVSA-N 2 0 342.487 2.227 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001480458394 1100262774 /nfs/dbraw/zinc/26/27/74/1100262774.db2.gz DDRUYBCSUBSFFN-RDTXWAMCSA-N 2 0 346.450 2.164 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001447627683 1102995817 /nfs/dbraw/zinc/99/58/17/1102995817.db2.gz MJIWHDSBKQLIBH-QFBILLFUSA-N 2 0 342.487 2.368 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCC(=C)C)C2)CC1 ZINC001480711711 1106936679 /nfs/dbraw/zinc/93/66/79/1106936679.db2.gz ZUKYYNWFWWERHI-OALUTQOASA-N 2 0 331.504 2.315 10 30 EEEERP C=C(C)C[N@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001493415199 1108112855 /nfs/dbraw/zinc/11/28/55/1108112855.db2.gz WUHKSYVJZJMJNX-GOSISDBHSA-N 2 0 325.472 2.356 10 30 EEEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001499909494 1112537058 /nfs/dbraw/zinc/53/70/58/1112537058.db2.gz OQBMCGWEGXSXHO-MRXNPFEDSA-N 2 0 325.416 2.038 10 30 EEEERP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001500160734 1112647826 /nfs/dbraw/zinc/64/78/26/1112647826.db2.gz CEHQWUREQCBSEM-HXUWFJFHSA-N 2 0 333.520 2.446 10 30 EEEERP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccc(F)cc2)CCC1 ZINC001502015138 1113559770 /nfs/dbraw/zinc/55/97/70/1113559770.db2.gz ZRJZVLNATMZDRR-UHFFFAOYSA-N 2 0 345.462 2.148 10 30 EEEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001503001734 1113870030 /nfs/dbraw/zinc/87/00/30/1113870030.db2.gz IZWHDYQUGXYKRG-IAGOWNOFSA-N 2 0 337.508 2.033 10 30 EEEERP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001506892664 1114954885 /nfs/dbraw/zinc/95/48/85/1114954885.db2.gz XNKCRHHETDQSJV-ZHALLVOQSA-N 2 0 331.504 2.291 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001507417273 1115258680 /nfs/dbraw/zinc/25/86/80/1115258680.db2.gz WNQCNQSCWXAACP-HKUYNNGSSA-N 2 0 327.472 2.260 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001568118516 1124312382 /nfs/dbraw/zinc/31/23/82/1124312382.db2.gz WCGUZNAXMDQTLF-LJQANCHMSA-N 2 0 327.472 2.289 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCC2CC2)CC1 ZINC001568545444 1124604978 /nfs/dbraw/zinc/60/49/78/1124604978.db2.gz QEXAHMUZWSJKKR-MOPGFXCFSA-N 2 0 331.504 2.006 10 30 EEEERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001569079836 1125085559 /nfs/dbraw/zinc/08/55/59/1125085559.db2.gz PFKNXRLZYPPJHT-PKOBYXMFSA-N 2 0 329.488 2.253 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001569167460 1125141516 /nfs/dbraw/zinc/14/15/16/1125141516.db2.gz BXQFUBFUWIJIQH-MOPGFXCFSA-N 2 0 333.520 2.395 10 30 EEEERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C#N)cs3)cn2)CC1 ZINC000343568399 161147339 /nfs/dbraw/zinc/14/73/39/161147339.db2.gz KUAPISCTNDRIEC-UHFFFAOYSA-N 2 0 341.484 2.446 10 30 EEEERP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000352833599 274224815 /nfs/dbraw/zinc/22/48/15/274224815.db2.gz JGQMBEWKDGULQD-ZDUSSCGKSA-N 2 0 340.393 2.303 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000171901361 463945284 /nfs/dbraw/zinc/94/52/84/463945284.db2.gz SWIVOBUZYNCXGX-MSOLQXFVSA-N 2 0 334.508 2.175 10 30 EEEERP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594435418 468585913 /nfs/dbraw/zinc/58/59/13/468585913.db2.gz DVQVIVVECNYHKK-ROUUACIJSA-N 2 0 328.460 2.131 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000594440443 468588866 /nfs/dbraw/zinc/58/88/66/468588866.db2.gz CIYVICHOGGFKMD-SFHVURJKSA-N 2 0 346.450 2.318 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659450832 471634642 /nfs/dbraw/zinc/63/46/42/471634642.db2.gz YLEFXYVWRGRJHN-SFHVURJKSA-N 2 0 348.535 2.448 10 30 EEEERP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261957298 682636279 /nfs/dbraw/zinc/63/62/79/682636279.db2.gz JEDLSNWHZUIXMG-SIRPWMCASA-N 2 0 336.524 2.084 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCC(C)C)C1 ZINC001266460420 1176576789 /nfs/dbraw/zinc/57/67/89/1176576789.db2.gz ZWQYIHSYHLSUTA-MOPGFXCFSA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001267489890 1179161868 /nfs/dbraw/zinc/16/18/68/1179161868.db2.gz BXOHOKGATZXWBV-QGZVFWFLSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001481334161 1181056100 /nfs/dbraw/zinc/05/61/00/1181056100.db2.gz LJKZBBIVKXKFQK-AWEZNQCLSA-N 2 0 333.501 2.273 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268295234 1182186292 /nfs/dbraw/zinc/18/62/92/1182186292.db2.gz QVGJQKCJRQLTAC-RTBURBONSA-N 2 0 327.472 2.260 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268295231 1182186463 /nfs/dbraw/zinc/18/64/63/1182186463.db2.gz QVGJQKCJRQLTAC-MOPGFXCFSA-N 2 0 327.472 2.260 10 30 EEEERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001268403146 1182510828 /nfs/dbraw/zinc/51/08/28/1182510828.db2.gz IUPXKSYEXIDRGC-GUYCJALGSA-N 2 0 334.439 2.022 10 30 EEEERP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001481851436 1182802245 /nfs/dbraw/zinc/80/22/45/1182802245.db2.gz FYNCUSTZWZTXNM-OTWHNJEPSA-N 2 0 329.488 2.392 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc2ccccc2)CC[N@@H+]1C ZINC001482101993 1183335270 /nfs/dbraw/zinc/33/52/70/1183335270.db2.gz ICXDJLAGHNBBNN-YSIASYRMSA-N 2 0 341.499 2.110 10 30 EEEERP CN(CCC[NH2+]Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268811508 1183730686 /nfs/dbraw/zinc/73/06/86/1183730686.db2.gz NXRUSAHNMWEDGV-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001269621521 1184446094 /nfs/dbraw/zinc/44/60/94/1184446094.db2.gz FCDYLDQMQIJZGD-UHFFFAOYSA-N 2 0 343.515 2.199 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001269730381 1184565516 /nfs/dbraw/zinc/56/55/16/1184565516.db2.gz OFAJMSZSWKSRBS-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001269921087 1184719083 /nfs/dbraw/zinc/71/90/83/1184719083.db2.gz YBUCCFHPQCCCKE-OALUTQOASA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001269921089 1184719472 /nfs/dbraw/zinc/71/94/72/1184719472.db2.gz YBUCCFHPQCCCKE-RTBURBONSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccccc1)CC(C)C ZINC001482386410 1185580423 /nfs/dbraw/zinc/58/04/23/1185580423.db2.gz HCEWCUILYFUFSL-PMACEKPBSA-N 2 0 341.499 2.405 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)CCCN(CC(=C)Cl)C1 ZINC001270965689 1185776999 /nfs/dbraw/zinc/77/69/99/1185776999.db2.gz NDFKDCJDGJEHGG-WMZOPIPTSA-N 2 0 337.895 2.055 10 30 EEEERP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001271112112 1185892461 /nfs/dbraw/zinc/89/24/61/1185892461.db2.gz HBKBVJDAOBRMKH-UHOSZYNNSA-N 2 0 329.488 2.344 10 30 EEEERP C[C@H]([NH2+]CC#Cc1ccccc1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001482474069 1186011981 /nfs/dbraw/zinc/01/19/81/1186011981.db2.gz BMVYHZWZBYQYKL-ICSRJNTNSA-N 2 0 341.499 2.207 10 30 EEEERP C=CCOCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001272053550 1187287286 /nfs/dbraw/zinc/28/72/86/1187287286.db2.gz NOYLSOOBCUIZKV-IPMKNSEASA-N 2 0 349.519 2.129 10 30 EEEERP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001272091006 1187583341 /nfs/dbraw/zinc/58/33/41/1187583341.db2.gz MJILDSHQIVJOHT-RBUKOAKNSA-N 2 0 331.504 2.199 10 30 EEEERP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001482866971 1187787130 /nfs/dbraw/zinc/78/71/30/1187787130.db2.gz DSCFXMGWQWSLQB-CQSZACIVSA-N 2 0 346.450 2.024 10 30 EEEERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001485923366 1193641343 /nfs/dbraw/zinc/64/13/43/1193641343.db2.gz CZKRBCWFKLIOEB-YJBOKZPZSA-N 2 0 349.906 2.468 10 30 EEEERP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001483989070 1191144214 /nfs/dbraw/zinc/14/42/14/1191144214.db2.gz VVWMORXUUNKUPF-JLAWEPINSA-N 2 0 345.531 2.301 10 30 EEEERP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001483989010 1191144232 /nfs/dbraw/zinc/14/42/32/1191144232.db2.gz UBCKXLQVRWJMCI-QZTJIDSGSA-N 2 0 333.520 2.301 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001484764742 1191504216 /nfs/dbraw/zinc/50/42/16/1191504216.db2.gz VBHZNNPYPJZQHG-FQEVSTJZSA-N 2 0 343.515 2.405 10 30 EEEERP C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001484771264 1191514217 /nfs/dbraw/zinc/51/42/17/1191514217.db2.gz QTIXMCIACGYWDE-OALUTQOASA-N 2 0 333.520 2.302 10 30 EEEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001486182853 1193701576 /nfs/dbraw/zinc/70/15/76/1193701576.db2.gz AEQOXBULHZTBLG-WMZOPIPTSA-N 2 0 337.508 2.033 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001486210544 1193750810 /nfs/dbraw/zinc/75/08/10/1193750810.db2.gz NEQDVHPZQMSIBW-PBHICJAKSA-N 2 0 346.450 2.024 10 30 EEEERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000872230250 1198100225 /nfs/dbraw/zinc/10/02/25/1198100225.db2.gz WYFXCLMGZXYGAP-HFCFLWKCSA-N 2 0 331.460 2.150 10 30 EEEERP C=CCC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883178742 1202026409 /nfs/dbraw/zinc/02/64/09/1202026409.db2.gz DAFQRBRWRHYTLP-RTBURBONSA-N 2 0 344.503 2.437 10 30 EEEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001490843557 1208468771 /nfs/dbraw/zinc/46/87/71/1208468771.db2.gz AULGTSWLAAUFHM-ZCNNSNEGSA-N 2 0 341.499 2.489 10 30 EEEERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cnn1C ZINC000903931853 1242549927 /nfs/dbraw/zinc/54/99/27/1242549927.db2.gz JUGNKLGJOQPTMI-KRWDZBQOSA-N 2 0 337.471 2.387 10 30 EEEERP C=CCC[NH2+]C1CCC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001491354952 1258988052 /nfs/dbraw/zinc/98/80/52/1258988052.db2.gz UGZRUQIMTZYDRZ-UHFFFAOYSA-N 2 0 339.443 2.474 10 30 EEEERP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCO[C@H](C)C#N)C2)ccn1 ZINC000856603706 1293579614 /nfs/dbraw/zinc/57/96/14/1293579614.db2.gz DGEWJQRTARTGPV-VQIMIIECSA-N 2 0 346.475 2.304 10 30 EEEERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001265000757 1322847126 /nfs/dbraw/zinc/84/71/26/1322847126.db2.gz CMGYEGCQHHFKBI-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001265335699 1323083171 /nfs/dbraw/zinc/08/31/71/1323083171.db2.gz DXTHPBUOIWLSRM-GOSISDBHSA-N 2 0 331.504 2.247 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001266192546 1323756175 /nfs/dbraw/zinc/75/61/75/1323756175.db2.gz YAXBFSYIIKMXRN-QGZVFWFLSA-N 2 0 333.520 2.396 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)c(F)c1 ZINC001279722147 1323986313 /nfs/dbraw/zinc/98/63/13/1323986313.db2.gz CUTBAUGKIPXSEH-UHFFFAOYSA-N 2 0 345.462 2.287 10 30 EEEERP CC[C@H](C(=O)N[C@@H](C)CCC[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001283260856 1325976715 /nfs/dbraw/zinc/97/67/15/1325976715.db2.gz POZCRWPUKCRFBO-QFBILLFUSA-N 2 0 347.478 2.392 10 30 EEEERP C=CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001284013118 1326362415 /nfs/dbraw/zinc/36/24/15/1326362415.db2.gz HANMKSMTEOTLHQ-VQIMIIECSA-N 2 0 345.487 2.143 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC#Cc2ccccc2)C(C)(C)C1 ZINC001284349297 1326514239 /nfs/dbraw/zinc/51/42/39/1326514239.db2.gz XMRBTZDMNQDSRN-IBGZPJMESA-N 2 0 341.499 2.207 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001284737409 1326689683 /nfs/dbraw/zinc/68/96/83/1326689683.db2.gz LEZZWTIOVSLEOS-CABCVRRESA-N 2 0 347.425 2.417 10 30 EEEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001491966019 1330361646 /nfs/dbraw/zinc/36/16/46/1330361646.db2.gz WZZJEMWBUCWOOI-OALUTQOASA-N 2 0 333.520 2.443 10 30 EEEERP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001492086551 1330993710 /nfs/dbraw/zinc/99/37/10/1330993710.db2.gz UXJIYVRDCAFINO-QRQLOZEOSA-N 2 0 329.488 2.392 10 30 EEEERP C=C(Cl)C[N@H+](CC)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001316897188 1331814313 /nfs/dbraw/zinc/81/43/13/1331814313.db2.gz ZIRVZXHVQLMTJJ-UHFFFAOYSA-N 2 0 327.900 2.443 10 30 EEEERP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cccc(C#N)c1 ZINC001316908261 1331974272 /nfs/dbraw/zinc/97/42/72/1331974272.db2.gz XZXGTZGGWHZLJK-LJQANCHMSA-N 2 0 342.487 2.228 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001317103945 1332081042 /nfs/dbraw/zinc/08/10/42/1332081042.db2.gz BTVCYGKMPAXXHM-FGTMMUONSA-N 2 0 345.874 2.023 10 30 EEEERP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001318149626 1332479391 /nfs/dbraw/zinc/47/93/91/1332479391.db2.gz SGCINLUATCDGKE-LJQANCHMSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CCC(=C)C)C2CC2)CC1 ZINC001318727633 1332584212 /nfs/dbraw/zinc/58/42/12/1332584212.db2.gz LWORSAQMWGRZBX-HXUWFJFHSA-N 2 0 331.504 2.172 10 30 EEEERP CC[C@@H](C(=O)N(CC)CC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001320841530 1332963357 /nfs/dbraw/zinc/96/33/57/1332963357.db2.gz ZZPHTHAFPCDOQS-SFHVURJKSA-N 2 0 349.906 2.470 10 30 EEEERP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001325053018 1333819184 /nfs/dbraw/zinc/81/91/84/1333819184.db2.gz FTOULZQDXWUFLR-GJZGRUSLSA-N 2 0 331.451 2.222 10 30 EEEERP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)O2 ZINC001327360507 1334276634 /nfs/dbraw/zinc/27/66/34/1334276634.db2.gz WDOAGZDOHXJSHN-QGZVFWFLSA-N 2 0 349.519 2.177 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001332138584 1335740054 /nfs/dbraw/zinc/74/00/54/1335740054.db2.gz ATQNUMDOFLKIMI-GUDVDZBRSA-N 2 0 345.531 2.491 10 30 EEEERP C=C1CCC(CNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC001336977707 1336625388 /nfs/dbraw/zinc/62/53/88/1336625388.db2.gz LLJVBKNJUDRDFM-KDURUIRLSA-N 2 0 346.519 2.343 10 30 EEEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001569706166 1342927693 /nfs/dbraw/zinc/92/76/93/1342927693.db2.gz BMCFGEVYQLYMPW-ZWKOTPCHSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CCCCC)CC2)CC1 ZINC001570387159 1343063564 /nfs/dbraw/zinc/06/35/64/1343063564.db2.gz DZQLOGQFXGVXAK-UHFFFAOYSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001571512854 1343224961 /nfs/dbraw/zinc/22/49/61/1343224961.db2.gz LJFPHITVKQWULT-GUDVDZBRSA-N 2 0 331.504 2.102 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]21 ZINC001571512731 1343224984 /nfs/dbraw/zinc/22/49/84/1343224984.db2.gz KECFACVBSNLNIK-XUVXKRRUSA-N 2 0 345.531 2.493 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](CC)C[C@H]1C)C(C)C ZINC001628521455 1352536501 /nfs/dbraw/zinc/53/65/01/1352536501.db2.gz PCEJJHQAIQIJSC-QZTJIDSGSA-N 2 0 336.524 2.421 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C[C@H]1C ZINC001671252648 1354026634 /nfs/dbraw/zinc/02/66/34/1354026634.db2.gz ZYQFOWPVEGXDPC-QUCCMNQESA-N 2 0 341.499 2.349 10 30 EEEERP C#CCC[C@@H](O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC001651499739 1354054785 /nfs/dbraw/zinc/05/47/85/1354054785.db2.gz LNFQPVWDZCXLDE-LJQANCHMSA-N 2 0 329.488 2.081 10 30 EEEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001656160736 1354209595 /nfs/dbraw/zinc/20/95/95/1354209595.db2.gz QPBRSLQLQLFOSY-MDNKFWRPSA-N 2 0 341.499 2.392 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCC)CCC(F)(F)F)CC1 ZINC001663696331 1355019033 /nfs/dbraw/zinc/01/90/33/1355019033.db2.gz QAYWAEFHLUAFAS-UHFFFAOYSA-N 2 0 347.425 2.112 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668174217 1355891798 /nfs/dbraw/zinc/89/17/98/1355891798.db2.gz WXWODSXAFDEACN-KSSFIOAISA-N 2 0 346.450 2.166 10 30 EEEERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001669399715 1356154843 /nfs/dbraw/zinc/15/48/43/1356154843.db2.gz KYFSYAPHAMZUKE-PBHICJAKSA-N 2 0 335.879 2.126 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001672326216 1356501666 /nfs/dbraw/zinc/50/16/66/1356501666.db2.gz BAMNWZLWCVDGLZ-ICSRJNTNSA-N 2 0 341.499 2.064 10 30 EEEERP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001672348136 1356506538 /nfs/dbraw/zinc/50/65/38/1356506538.db2.gz JEBYADVVHGHZCE-YVSFHVDLSA-N 2 0 325.472 2.212 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001672806598 1356589221 /nfs/dbraw/zinc/58/92/21/1356589221.db2.gz YRNBBDPCSPRMRY-IEBWSBKVSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001699680016 1405437349 /nfs/dbraw/zinc/43/73/49/1405437349.db2.gz LBGBZOLOBYUWBD-YQQQUEKLSA-N 2 0 331.504 2.387 10 30 EEEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001699845007 1405523873 /nfs/dbraw/zinc/52/38/73/1405523873.db2.gz CUZYVJJBUPYBFQ-OAQYLSRUSA-N 2 0 341.499 2.256 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=C)C)CC2(C)C)CC1 ZINC000941237930 780226561 /nfs/dbraw/zinc/22/65/61/780226561.db2.gz SVXLTHXBHKSUIA-GOSISDBHSA-N 2 0 331.504 2.124 10 30 EEEERP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000921732887 795639689 /nfs/dbraw/zinc/63/96/89/795639689.db2.gz LLGANNQAEJQHQY-GOSISDBHSA-N 2 0 326.488 2.433 10 30 EEEERP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001565941891 1125467967 /nfs/dbraw/zinc/46/79/67/1125467967.db2.gz RNUYHEQDHUWVAO-MOPGFXCFSA-N 2 0 333.520 2.348 10 30 EEEERP C[C@@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436677547 1088125829 /nfs/dbraw/zinc/12/58/29/1088125829.db2.gz ZTXWJBRIAUCPPL-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001440986695 1094251388 /nfs/dbraw/zinc/25/13/88/1094251388.db2.gz GJIHKEKHQQVBSU-VQIMIIECSA-N 2 0 342.487 2.369 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001443947171 1098467281 /nfs/dbraw/zinc/46/72/81/1098467281.db2.gz RWRRXZLQOSCVSV-FUHWJXTLSA-N 2 0 346.450 2.166 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001444797769 1099712269 /nfs/dbraw/zinc/71/22/69/1099712269.db2.gz WQXPRVXQZBLNMU-VQIMIIECSA-N 2 0 342.487 2.225 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@@H+]1C ZINC001480463737 1100269324 /nfs/dbraw/zinc/26/93/24/1100269324.db2.gz HBONPILLANVACC-QANKJYHBSA-N 2 0 346.450 2.022 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001496081036 1102024467 /nfs/dbraw/zinc/02/44/67/1102024467.db2.gz KHZUKUPQFXZDHI-VQIMIIECSA-N 2 0 342.487 2.369 10 30 EEEERP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497257996 1102206771 /nfs/dbraw/zinc/20/67/71/1102206771.db2.gz ZTVPVIWECRMUJR-CQSZACIVSA-N 2 0 346.450 2.024 10 30 EEEERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001447870840 1103484291 /nfs/dbraw/zinc/48/42/91/1103484291.db2.gz QQCILKAESUUANI-UONOGXRCSA-N 2 0 346.450 2.164 10 30 EEEERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001495095966 1104735698 /nfs/dbraw/zinc/73/56/98/1104735698.db2.gz ZWVJLFMWEWEAQQ-WBVHZDCISA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001499530545 1112346983 /nfs/dbraw/zinc/34/69/83/1112346983.db2.gz SOSMXXCZRGLPDY-LJQANCHMSA-N 2 0 331.504 2.197 10 30 EEEERP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001499570769 1112374882 /nfs/dbraw/zinc/37/48/82/1112374882.db2.gz UYQVZXXLPWJECR-IEBWSBKVSA-N 2 0 337.483 2.004 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cncn1C ZINC001505416567 1113949962 /nfs/dbraw/zinc/94/99/62/1113949962.db2.gz OMTQMXGYRRVCNA-UYAOXDASSA-N 2 0 338.455 2.301 10 30 EEEERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001505682110 1114128605 /nfs/dbraw/zinc/12/86/05/1114128605.db2.gz QOJBJATVYBMTMS-ZIAGYGMSSA-N 2 0 346.450 2.022 10 30 EEEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001507362660 1115222716 /nfs/dbraw/zinc/22/27/16/1115222716.db2.gz IIKUOSLBZXDTIG-KZNAEPCWSA-N 2 0 331.504 2.265 10 30 EEEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)c(F)c1 ZINC001508241147 1115457998 /nfs/dbraw/zinc/45/79/98/1115457998.db2.gz FMSUYKXQDUGKJT-MRXNPFEDSA-N 2 0 333.451 2.449 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCn2cc(C)nc2C1)C(C)C ZINC000371699903 465949006 /nfs/dbraw/zinc/94/90/06/465949006.db2.gz KXBQQJQLHUIKBW-QGZVFWFLSA-N 2 0 345.491 2.415 10 30 EEEERP CCCCCCNC(=[NH2+])NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000304800368 466317852 /nfs/dbraw/zinc/31/78/52/466317852.db2.gz OMBOAWRMKVRLHG-UHFFFAOYSA-N 2 0 337.556 2.421 10 30 EEEERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436345 468586108 /nfs/dbraw/zinc/58/61/08/468586108.db2.gz DFMZMPSYQAEVCQ-OALUTQOASA-N 2 0 342.487 2.378 10 30 EEEERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594948295 468728748 /nfs/dbraw/zinc/72/87/48/468728748.db2.gz ZABFNAMYDWHHJG-KRWDZBQOSA-N 2 0 326.488 2.357 10 30 EEEERP C[N@H+](C[C@@H](O)CC1(C#N)CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302798 469200952 /nfs/dbraw/zinc/20/09/52/469200952.db2.gz KIIUADKVJSFZRZ-MOPGFXCFSA-N 2 0 327.472 2.495 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C(C)C ZINC000669385709 471471703 /nfs/dbraw/zinc/47/17/03/471471703.db2.gz PEJSJRSXALMHOL-UYAOXDASSA-N 2 0 348.535 2.470 10 30 EEEERP C=CC[C@@]1(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662700044 472214943 /nfs/dbraw/zinc/21/49/43/472214943.db2.gz JHKJZDDPVWNOHY-IBGZPJMESA-N 2 0 344.459 2.214 10 30 EEEERP CC[NH+]=C(NCC1(O)CCCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000085146264 528803895 /nfs/dbraw/zinc/80/38/95/528803895.db2.gz REWDIEWUCIUBPV-INIZCTEOSA-N 2 0 336.524 2.254 10 30 EEEERP C=C(C)CNC(=[NH2+])NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000305734650 687094973 /nfs/dbraw/zinc/09/49/73/687094973.db2.gz QTRDMKBNCQZRFN-UHFFFAOYSA-N 2 0 341.503 2.199 10 30 EEEERP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3nccn3C2)C(C)(C)C1 ZINC001485570981 1191839870 /nfs/dbraw/zinc/83/98/70/1191839870.db2.gz XSWFRKMOIUGVGY-CVEARBPZSA-N 2 0 330.476 2.238 10 30 EEEERP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001485658882 1191879383 /nfs/dbraw/zinc/87/93/83/1191879383.db2.gz ZRLHHDZVNHTYRZ-GBESFXJTSA-N 2 0 331.504 2.102 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266469153 1176594872 /nfs/dbraw/zinc/59/48/72/1176594872.db2.gz GCJLDWOOYNMWAR-OALUTQOASA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001266994346 1178052628 /nfs/dbraw/zinc/05/26/28/1178052628.db2.gz LPJIBXPOHPOVHB-QZTJIDSGSA-N 2 0 341.499 2.496 10 30 EEEERP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267565144 1179371625 /nfs/dbraw/zinc/37/16/25/1179371625.db2.gz JOJFFSXVUJTGHN-CRAIPNDOSA-N 2 0 325.472 2.213 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC#Cc2ccccc2)CCCC1 ZINC001267834267 1180605772 /nfs/dbraw/zinc/60/57/72/1180605772.db2.gz USFFBTDFOGJQKR-LJQANCHMSA-N 2 0 339.483 2.151 10 30 EEEERP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)CC2 ZINC001267974091 1180900350 /nfs/dbraw/zinc/90/03/50/1180900350.db2.gz MQLBPCCXDFJSMT-UHFFFAOYSA-N 2 0 345.531 2.446 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC001268123109 1181770532 /nfs/dbraw/zinc/77/05/32/1181770532.db2.gz KXZBVLLMCANTQY-FQEVSTJZSA-N 2 0 345.531 2.396 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268472054 1182849841 /nfs/dbraw/zinc/84/98/41/1182849841.db2.gz XWMGGRNIULFBFF-GOSISDBHSA-N 2 0 347.890 2.224 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481988998 1183094100 /nfs/dbraw/zinc/09/41/00/1183094100.db2.gz WLELPPFYKZKDIG-JKSUJKDBSA-N 2 0 327.900 2.299 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001268543577 1183215925 /nfs/dbraw/zinc/21/59/25/1183215925.db2.gz WLBZANQXEWJARH-ZRHASKPBSA-N 2 0 340.471 2.193 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC2CCC(C)CC2)CC1 ZINC001268673882 1183600988 /nfs/dbraw/zinc/60/09/88/1183600988.db2.gz LXSUETUNHAYIJB-LXPRWKDFSA-N 2 0 333.520 2.252 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001270091262 1184841500 /nfs/dbraw/zinc/84/15/00/1184841500.db2.gz OCGIVOFLYILOKR-MRXNPFEDSA-N 2 0 325.416 2.038 10 30 EEEERP CC(C)C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482397630 1185606775 /nfs/dbraw/zinc/60/67/75/1185606775.db2.gz BVSVYYINRALYLA-UXHICEINSA-N 2 0 341.499 2.110 10 30 EEEERP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271110138 1185892602 /nfs/dbraw/zinc/89/26/02/1185892602.db2.gz QTVHKNUSLOOJFB-CVEARBPZSA-N 2 0 343.462 2.366 10 30 EEEERP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272784442 1193496943 /nfs/dbraw/zinc/49/69/43/1193496943.db2.gz UXJLFVOPLGHJBU-CKEIUWERSA-N 2 0 346.450 2.022 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC001483198560 1189094255 /nfs/dbraw/zinc/09/42/55/1189094255.db2.gz UZAFTRXORHZWRE-MRXNPFEDSA-N 2 0 345.462 2.074 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001485885193 1193629666 /nfs/dbraw/zinc/62/96/66/1193629666.db2.gz GRDIEYDJBJDFDF-ICSRJNTNSA-N 2 0 341.499 2.338 10 30 EEEERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cc(C#N)ccc1F)C1CC1)[NH+](C)C ZINC001483601510 1190582710 /nfs/dbraw/zinc/58/27/10/1190582710.db2.gz PDPPVCKMMYVNEB-QZTJIDSGSA-N 2 0 346.450 2.022 10 30 EEEERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001483793299 1191032900 /nfs/dbraw/zinc/03/29/00/1191032900.db2.gz ANHTYDXJAKUZRW-HOTGVXAUSA-N 2 0 340.471 2.169 10 30 EEEERP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001483978718 1191139459 /nfs/dbraw/zinc/13/94/59/1191139459.db2.gz FBWASQAWFFNVPJ-GOSISDBHSA-N 2 0 349.519 2.036 10 30 EEEERP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001484168372 1191255098 /nfs/dbraw/zinc/25/50/98/1191255098.db2.gz XGLCYVBSPCBCGX-ICSRJNTNSA-N 2 0 333.520 2.350 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCOCC1 ZINC001484186409 1191264502 /nfs/dbraw/zinc/26/45/02/1191264502.db2.gz XHHMQUKERCUWAR-UHFFFAOYSA-N 2 0 337.508 2.082 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001484371735 1191319714 /nfs/dbraw/zinc/31/97/14/1191319714.db2.gz LZNUSEHWIAXBST-DLBZAZTESA-N 2 0 333.520 2.347 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001486253164 1193780438 /nfs/dbraw/zinc/78/04/38/1193780438.db2.gz KMELZECLDUFNSW-CABCVRRESA-N 2 0 347.425 2.275 10 30 EEEERP CC(C)[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001410284796 1197661260 /nfs/dbraw/zinc/66/12/60/1197661260.db2.gz YEDQLPMTZBOUIM-LJQANCHMSA-N 2 0 342.487 2.275 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001410330385 1197713835 /nfs/dbraw/zinc/71/38/35/1197713835.db2.gz PSQFZVIDUOJJEU-KRWDZBQOSA-N 2 0 348.516 2.287 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000876723292 1199740226 /nfs/dbraw/zinc/74/02/26/1199740226.db2.gz RUZDACOUSQTDCQ-MRXNPFEDSA-N 2 0 335.879 2.409 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000876767321 1199765138 /nfs/dbraw/zinc/76/51/38/1199765138.db2.gz GPQHHFQUHQDIGP-COXVUDFISA-N 2 0 335.879 2.483 10 30 EEEERP COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866666782 1201574384 /nfs/dbraw/zinc/57/43/84/1201574384.db2.gz WSRXDICIMXBYBZ-FHWLQOOXSA-N 2 0 341.455 2.484 10 30 EEEERP C[NH+](C)CCN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccccc1 ZINC000867943205 1201710889 /nfs/dbraw/zinc/71/08/89/1201710889.db2.gz OVHMGFNAPDGOLZ-HXUWFJFHSA-N 2 0 348.450 2.340 10 30 EEEERP C=CCC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCCO1 ZINC000883173438 1202025565 /nfs/dbraw/zinc/02/55/65/1202025565.db2.gz KLNQFALJCBAJSP-RTBURBONSA-N 2 0 344.503 2.437 10 30 EEEERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001274106109 1204373020 /nfs/dbraw/zinc/37/30/20/1204373020.db2.gz VUXBLTPHOZTTJQ-VOFKWLDRSA-N 2 0 345.462 2.025 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001275150033 1205268105 /nfs/dbraw/zinc/26/81/05/1205268105.db2.gz USHPWKRSIKZCTB-PKOBYXMFSA-N 2 0 327.472 2.005 10 30 EEEERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000925650510 1206139781 /nfs/dbraw/zinc/13/97/81/1206139781.db2.gz PNTQVESSGWIPBG-KZNAEPCWSA-N 2 0 340.471 2.155 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CCC2)CC1 ZINC001037123394 1213914115 /nfs/dbraw/zinc/91/41/15/1213914115.db2.gz UUGSIURQFHXYKA-RTBURBONSA-N 2 0 331.504 2.006 10 30 EEEERP CC(C)Oc1ccc(NC(=[NH2+])NCCCC[NH+]2CCOCC2)cc1 ZINC000303892985 1213922184 /nfs/dbraw/zinc/92/21/84/1213922184.db2.gz NXHLRHRAOCRTHD-UHFFFAOYSA-N 2 0 334.464 2.313 10 30 EEEERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)cnn1C ZINC000903987438 1242884125 /nfs/dbraw/zinc/88/41/25/1242884125.db2.gz GHELWNOABLJOBS-SFHVURJKSA-N 2 0 339.487 2.329 10 30 EEEERP C#CCC[N@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001491113269 1258690920 /nfs/dbraw/zinc/69/09/20/1258690920.db2.gz DTYNDVKTVGBLJQ-GOSISDBHSA-N 2 0 333.520 2.350 10 30 EEEERP CC#CC[N@H+](C)CCCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001273560473 1279885128 /nfs/dbraw/zinc/88/51/28/1279885128.db2.gz OLDIVLBFSMGIQU-UHFFFAOYSA-N 2 0 329.488 2.208 10 30 EEEERP C[N@@H+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490163638 1290990639 /nfs/dbraw/zinc/99/06/39/1290990639.db2.gz CBRHOGBKJZZUTE-GOSISDBHSA-N 2 0 347.890 2.224 10 30 EEEERP C=CC[NH+]1CCC(C)(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001278079473 1305880637 /nfs/dbraw/zinc/88/06/37/1305880637.db2.gz IUIBGSVKMSMMTH-SFHVURJKSA-N 2 0 325.472 2.356 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)CC1 ZINC001120028258 1309287959 /nfs/dbraw/zinc/28/79/59/1309287959.db2.gz ZKTFOYCUSJAJHD-SCTDSRPQSA-N 2 0 348.535 2.399 10 30 EEEERP C#CCC[N@@H+](C)CCN(C(=O)c1cnn(-c2ccncc2)c1)C(C)C ZINC001278926362 1318704296 /nfs/dbraw/zinc/70/42/96/1318704296.db2.gz ITSNQGGSQGHARJ-UHFFFAOYSA-N 2 0 339.443 2.073 10 30 EEEERP C#CC[N@H+](C[C@H]1CCCOC1)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001262019529 1322223012 /nfs/dbraw/zinc/22/30/12/1322223012.db2.gz USUREIFEGNVIOF-RTBURBONSA-N 2 0 334.504 2.239 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001263851356 1322536832 /nfs/dbraw/zinc/53/68/32/1322536832.db2.gz GDYNTBXKPRXKCY-PUZFROQSSA-N 2 0 345.531 2.396 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH2+]CC=C)CC1 ZINC001264521323 1322724841 /nfs/dbraw/zinc/72/48/41/1322724841.db2.gz YAJCYWRXMSZQDK-IEBWSBKVSA-N 2 0 331.504 2.124 10 30 EEEERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC001265000681 1322847082 /nfs/dbraw/zinc/84/70/82/1322847082.db2.gz AYMYBYXVEUGYJG-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001265444319 1323158734 /nfs/dbraw/zinc/15/87/34/1323158734.db2.gz QTOWOMNMPWPUKR-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001265786015 1323380429 /nfs/dbraw/zinc/38/04/29/1323380429.db2.gz KKBOQEWZJIYBCV-VQIMIIECSA-N 2 0 345.462 2.146 10 30 EEEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001280207393 1324114429 /nfs/dbraw/zinc/11/44/29/1324114429.db2.gz KKMBTYAXSCBBKE-SXLOBPIMSA-N 2 0 341.499 2.346 10 30 EEEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001281529849 1325231811 /nfs/dbraw/zinc/23/18/11/1325231811.db2.gz BGNVLJGRANOHHV-GOSISDBHSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC(CC)CC)C2)CC1 ZINC001316642118 1327234963 /nfs/dbraw/zinc/23/49/63/1327234963.db2.gz QPQPLKBEWZRSBE-UAPYVXQJSA-N 2 0 333.520 2.252 10 30 EEEERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001317280113 1332163371 /nfs/dbraw/zinc/16/33/71/1332163371.db2.gz PESGTNRHCUFRDF-YJBOKZPZSA-N 2 0 349.906 2.372 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001317665052 1332359040 /nfs/dbraw/zinc/35/90/40/1332359040.db2.gz NOIJNEBNAGZCHO-IBGZPJMESA-N 2 0 342.487 2.227 10 30 EEEERP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001324438950 1333683500 /nfs/dbraw/zinc/68/35/00/1333683500.db2.gz COMWSTMUNRIOOH-UHFFFAOYSA-N 2 0 347.425 2.207 10 30 EEEERP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001325577101 1333915332 /nfs/dbraw/zinc/91/53/32/1333915332.db2.gz URTWCPMTVUEZEM-LPHOPBHVSA-N 2 0 327.472 2.069 10 30 EEEERP C=CCCC[N@@H+]1CC[C@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001332114077 1335732835 /nfs/dbraw/zinc/73/28/35/1335732835.db2.gz UQSRRTLSGANNTC-UYAOXDASSA-N 2 0 349.519 2.177 10 30 EEEERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001479815470 1337394672 /nfs/dbraw/zinc/39/46/72/1337394672.db2.gz HXAVPQLIQLPDCW-IRXDYDNUSA-N 2 0 342.487 2.369 10 30 EEEERP CC#CCN1Cc2ccc(CNC(=O)[C@@H](F)C[NH+](CC)CC)cc2C1 ZINC001502650514 1342220868 /nfs/dbraw/zinc/22/08/68/1342220868.db2.gz CRVJBGWLXAJEBO-IBGZPJMESA-N 2 0 345.462 2.322 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567021584 1342680993 /nfs/dbraw/zinc/68/09/93/1342680993.db2.gz MDDYUZSDKHWIOX-PKOBYXMFSA-N 2 0 327.472 2.007 10 30 EEEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CCCC1 ZINC001569610720 1342908066 /nfs/dbraw/zinc/90/80/66/1342908066.db2.gz WOWIYNZMTKFUDI-RBUKOAKNSA-N 2 0 333.520 2.396 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001569705741 1342927628 /nfs/dbraw/zinc/92/76/28/1342927628.db2.gz XKHVRJNCZXYJQU-SFHVURJKSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001676888999 1357233581 /nfs/dbraw/zinc/23/35/81/1357233581.db2.gz XMNJQNOJCJSLRC-WMZOPIPTSA-N 2 0 337.508 2.033 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1ccnc1C(C)C ZINC001660468651 1354469617 /nfs/dbraw/zinc/46/96/17/1354469617.db2.gz ZCWYOBCTJYARLB-IAGOWNOFSA-N 2 0 330.476 2.389 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001664392142 1355152901 /nfs/dbraw/zinc/15/29/01/1355152901.db2.gz YLMSVRSDDNXHAO-HUUCEWRRSA-N 2 0 346.450 2.118 10 30 EEEERP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCc2cncn2C1 ZINC001667268168 1355693569 /nfs/dbraw/zinc/69/35/69/1355693569.db2.gz SZRCTVPTIVSHOD-SJORKVTESA-N 2 0 330.476 2.382 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001669572067 1356177198 /nfs/dbraw/zinc/17/71/98/1356177198.db2.gz MBRWNGTVHNPXNF-HKUYNNGSSA-N 2 0 327.472 2.007 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCC1 ZINC001671569726 1356364529 /nfs/dbraw/zinc/36/45/29/1356364529.db2.gz MLVYENMTOYGFSV-OALUTQOASA-N 2 0 333.520 2.395 10 30 EEEERP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001672538841 1356550911 /nfs/dbraw/zinc/55/09/11/1356550911.db2.gz VDKKAVSIVULOFP-RTBURBONSA-N 2 0 349.519 2.129 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001674481686 1356844685 /nfs/dbraw/zinc/84/46/85/1356844685.db2.gz YLYXBTQTGZPITD-APWZRJJASA-N 2 0 337.483 2.145 10 30 EEEERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001674579303 1356860356 /nfs/dbraw/zinc/86/03/56/1356860356.db2.gz WXUVRDGZNSVHNM-UHFFFAOYSA-N 2 0 347.890 2.128 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001699759489 1405469393 /nfs/dbraw/zinc/46/93/93/1405469393.db2.gz WZFGNAMJWQLBHH-IBGZPJMESA-N 2 0 329.488 2.318 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CCCC1 ZINC001699797020 1405489210 /nfs/dbraw/zinc/48/92/10/1405489210.db2.gz SASHRBWYBZJILB-VQIMIIECSA-N 2 0 337.483 2.097 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccsc2)CC1 ZINC000940157844 778191785 /nfs/dbraw/zinc/19/17/85/778191785.db2.gz BJRNERUBFXHWHL-KRWDZBQOSA-N 2 0 345.512 2.316 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000912466722 788185309 /nfs/dbraw/zinc/18/53/09/788185309.db2.gz YSWWFTCSMSVGJD-LJQANCHMSA-N 2 0 329.488 2.270 10 30 EEEERP C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436677558 1088126466 /nfs/dbraw/zinc/12/64/66/1088126466.db2.gz ZTXWJBRIAUCPPL-VQIMIIECSA-N 2 0 342.487 2.369 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001440475183 1093703834 /nfs/dbraw/zinc/70/38/34/1093703834.db2.gz RPCMWCNAURWPLD-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001448711634 1093781818 /nfs/dbraw/zinc/78/18/18/1093781818.db2.gz SHAODEVEWRHJKP-GJYPPUQNSA-N 2 0 342.487 2.225 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001440928405 1094180034 /nfs/dbraw/zinc/18/00/34/1094180034.db2.gz JIZJYDZDQSUBMZ-LPHOPBHVSA-N 2 0 342.487 2.369 10 30 EEEERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001441858976 1095958009 /nfs/dbraw/zinc/95/80/09/1095958009.db2.gz JSWODMZVJCHGLY-RHSMWYFYSA-N 2 0 346.450 2.166 10 30 EEEERP C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001442284101 1096596360 /nfs/dbraw/zinc/59/63/60/1096596360.db2.gz LMBKOHBACXSBJR-UHFFFAOYSA-N 2 0 332.448 2.183 10 30 EEEERP C[NH+](C)CCC(=O)N[C@](C)(C[NH2+]Cc1cc(C#N)ccc1F)C1CC1 ZINC001444122892 1098656286 /nfs/dbraw/zinc/65/62/86/1098656286.db2.gz DOMGNBXAGSLZGF-LJQANCHMSA-N 2 0 346.450 2.024 10 30 EEEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001479688841 1098749430 /nfs/dbraw/zinc/74/94/30/1098749430.db2.gz MOVJFFCKALUJLJ-RTBURBONSA-N 2 0 333.520 2.491 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001480168816 1099745290 /nfs/dbraw/zinc/74/52/90/1099745290.db2.gz ZMVBXTGGKVAPQG-IYARVYRRSA-N 2 0 347.890 2.270 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001480412155 1100230025 /nfs/dbraw/zinc/23/00/25/1100230025.db2.gz AKVVTUTUMOSBFI-UHFFFAOYSA-N 2 0 342.487 2.415 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001480492445 1100304879 /nfs/dbraw/zinc/30/48/79/1100304879.db2.gz KLPBFRHICBWKDV-WMLDXEAASA-N 2 0 348.516 2.334 10 30 EEEERP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001496442647 1101033367 /nfs/dbraw/zinc/03/33/67/1101033367.db2.gz GVLXXMKEUGFSDP-MSOLQXFVSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001495681557 1101426795 /nfs/dbraw/zinc/42/67/95/1101426795.db2.gz HLTLXOAXMAFCLQ-JXFKEZNVSA-N 2 0 341.499 2.243 10 30 EEEERP C=C(Br)C[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001447548289 1102840259 /nfs/dbraw/zinc/84/02/59/1102840259.db2.gz YERPRTJIRXTIFE-CYBMUJFWSA-N 2 0 346.313 2.206 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](C)CCCC=C)CC2)CC1 ZINC001494214475 1103709658 /nfs/dbraw/zinc/70/96/58/1103709658.db2.gz KATCKMVLHBKYJZ-UHFFFAOYSA-N 2 0 345.531 2.468 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001448031929 1103841811 /nfs/dbraw/zinc/84/18/11/1103841811.db2.gz FMYYVQOQAZDGED-LPHOPBHVSA-N 2 0 342.487 2.369 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cccc(CC)c2)CC1 ZINC001497989931 1106744852 /nfs/dbraw/zinc/74/48/52/1106744852.db2.gz HGFJIAYNKPHESO-QGZVFWFLSA-N 2 0 341.499 2.189 10 30 EEEERP CN(CCC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001498568039 1107734695 /nfs/dbraw/zinc/73/46/95/1107734695.db2.gz NXTLAVDJVVHLIR-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1CC ZINC001498888920 1108280853 /nfs/dbraw/zinc/28/08/53/1108280853.db2.gz ILOFPGNVXZMJTQ-MSOLQXFVSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(C)CC[N@@H+](CCOC)C1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001499538504 1112352371 /nfs/dbraw/zinc/35/23/71/1112352371.db2.gz CLRMBQWEBIKNSZ-UHFFFAOYSA-N 2 0 348.491 2.097 10 30 EEEERP C[NH+](C)CCCC(=O)NC1(C)CC[NH+](CC#Cc2ccccc2)CC1 ZINC001499994701 1112570956 /nfs/dbraw/zinc/57/09/56/1112570956.db2.gz SVAZJIYVRAPPOR-UHFFFAOYSA-N 2 0 341.499 2.351 10 30 EEEERP C#CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1CC[NH+](CC(C)C)CC1 ZINC001500039406 1112588568 /nfs/dbraw/zinc/58/85/68/1112588568.db2.gz PBLMUSHDRFTBAW-SFHVURJKSA-N 2 0 339.499 2.249 10 30 EEEERP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001503691671 1113899949 /nfs/dbraw/zinc/89/99/49/1113899949.db2.gz OVPKMVKBKYERNX-IBGZPJMESA-N 2 0 327.472 2.067 10 30 EEEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001505503893 1114027188 /nfs/dbraw/zinc/02/71/88/1114027188.db2.gz ZBWKBHHAEWPKNN-UHFFFAOYSA-N 2 0 325.884 2.099 10 30 EEEERP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]2C1 ZINC001506855130 1114919412 /nfs/dbraw/zinc/91/94/12/1114919412.db2.gz HIWVGVAYUVGQNR-OKZBNKHCSA-N 2 0 345.531 2.489 10 30 EEEERP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCCC[NH+](C)C ZINC001507294496 1115178518 /nfs/dbraw/zinc/17/85/18/1115178518.db2.gz ZTXPVOZOULJFNI-PBHICJAKSA-N 2 0 348.516 2.431 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001507358785 1115220025 /nfs/dbraw/zinc/22/00/25/1115220025.db2.gz VGQNOZCIHWKXNU-GBESFXJTSA-N 2 0 345.531 2.491 10 30 EEEERP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)CC1(C)C ZINC001507445552 1115273427 /nfs/dbraw/zinc/27/34/27/1115273427.db2.gz FBTDBGVXMAUJMT-LJQANCHMSA-N 2 0 341.499 2.011 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCC(C)C)C(C)(C)C)CC1 ZINC001508037406 1115397835 /nfs/dbraw/zinc/39/78/35/1115397835.db2.gz SZMSYZDFLLUHOZ-SFHVURJKSA-N 2 0 335.536 2.498 10 30 EEEERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001508227699 1115453687 /nfs/dbraw/zinc/45/36/87/1115453687.db2.gz QKEDFYMULLJSCV-UHFFFAOYSA-N 2 0 340.471 2.148 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001568291192 1124407562 /nfs/dbraw/zinc/40/75/62/1124407562.db2.gz DPNWGYVJAPVULO-SFHVURJKSA-N 2 0 341.499 2.349 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568393374 1124463618 /nfs/dbraw/zinc/46/36/18/1124463618.db2.gz KRIMVNWVLVYSBU-LPHOPBHVSA-N 2 0 337.483 2.193 10 30 EEEERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001569237675 1125186421 /nfs/dbraw/zinc/18/64/21/1125186421.db2.gz QUWCDPAWHZWWPU-GOSISDBHSA-N 2 0 348.466 2.222 10 30 EEEERP COCCC[NH+]=C(NCc1cccs1)NC[C@@H](C)[NH+]1CCCC1 ZINC000072271908 463491844 /nfs/dbraw/zinc/49/18/44/463491844.db2.gz WAFJFNOPXQKMNS-OAHLLOKOSA-N 2 0 338.521 2.304 10 30 EEEERP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594437813 468586609 /nfs/dbraw/zinc/58/66/09/468586609.db2.gz FRJZLYNTENJTQW-INIZCTEOSA-N 2 0 343.475 2.178 10 30 EEEERP C=CC[C@@]1(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000662758341 472237942 /nfs/dbraw/zinc/23/79/42/472237942.db2.gz QSSZIMBKZCJKTL-FQEVSTJZSA-N 2 0 342.487 2.071 10 30 EEEERP COc1ccc(OC)c(NC(=[NH2+])NC2CC([NH+]3CCCCC3)C2)c1 ZINC000262493577 686396823 /nfs/dbraw/zinc/39/68/23/686396823.db2.gz VPZDVWQVJMYIOF-UHFFFAOYSA-N 2 0 332.448 2.447 10 30 EEEERP CC[NH+]=C(NCc1ncccc1C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000097013642 693254701 /nfs/dbraw/zinc/25/47/01/693254701.db2.gz VRAQNGBUDRPIEJ-MRXNPFEDSA-N 2 0 329.492 2.462 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2c(C)cccc2C)CC1 ZINC001772517076 1176571172 /nfs/dbraw/zinc/57/11/72/1176571172.db2.gz CWQQPUVKVOMKFS-SFHVURJKSA-N 2 0 341.499 2.243 10 30 EEEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001267491631 1179165243 /nfs/dbraw/zinc/16/52/43/1179165243.db2.gz LKQCAEXVKMDNQH-MSOLQXFVSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001267491544 1179165305 /nfs/dbraw/zinc/16/53/05/1179165305.db2.gz JLDJCDBJJINCIO-DNVCBOLYSA-N 2 0 337.483 2.049 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267685040 1180157937 /nfs/dbraw/zinc/15/79/37/1180157937.db2.gz XDSVTJPFKAOUSG-VQIMIIECSA-N 2 0 337.483 2.003 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001267916301 1180759601 /nfs/dbraw/zinc/75/96/01/1180759601.db2.gz RRAFMHXZJKMWEJ-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[N@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001481354525 1181105516 /nfs/dbraw/zinc/10/55/16/1181105516.db2.gz ILYVNAVAKWHFML-IBGZPJMESA-N 2 0 339.499 2.439 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001481365952 1181134313 /nfs/dbraw/zinc/13/43/13/1181134313.db2.gz UUDJXDHONXATTE-OALUTQOASA-N 2 0 327.472 2.331 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CCC2CC2)CC1 ZINC001268165674 1181897989 /nfs/dbraw/zinc/89/79/89/1181897989.db2.gz HYBYKPYMILXESC-FQEVSTJZSA-N 2 0 345.531 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H](C)[NH2+]CCC=C)C2)CC1 ZINC001268178315 1181961162 /nfs/dbraw/zinc/96/11/62/1181961162.db2.gz DUOXLZYQPDRGQI-MJGOQNOKSA-N 2 0 331.504 2.124 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001482004336 1183121596 /nfs/dbraw/zinc/12/15/96/1183121596.db2.gz RVYBYPHUEPIJRG-UHFFFAOYSA-N 2 0 342.487 2.228 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001268630917 1183556314 /nfs/dbraw/zinc/55/63/14/1183556314.db2.gz SMLLBVJYBWPUPS-PHWHVTFISA-N 2 0 340.471 2.195 10 30 EEEERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001268661999 1183590062 /nfs/dbraw/zinc/59/00/62/1183590062.db2.gz SEUBKXPFYMJURM-PBHICJAKSA-N 2 0 335.879 2.126 10 30 EEEERP C=C(Br)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001268958544 1183851594 /nfs/dbraw/zinc/85/15/94/1183851594.db2.gz LQJQJWBYPNMKDN-CQSZACIVSA-N 2 0 346.313 2.208 10 30 EEEERP C[C@@H](CNC(=O)CCC[NH+](C)C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001270497685 1185130080 /nfs/dbraw/zinc/13/00/80/1185130080.db2.gz YEYAKDOSFNOQKV-MRXNPFEDSA-N 2 0 349.906 2.375 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001270701629 1185327277 /nfs/dbraw/zinc/32/72/77/1185327277.db2.gz WIKQWTJFDFEBEP-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001271154423 1185978196 /nfs/dbraw/zinc/97/81/96/1185978196.db2.gz FABKZUSIHAYDNO-LJQANCHMSA-N 2 0 341.499 2.207 10 30 EEEERP C#CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC001272810187 1193534423 /nfs/dbraw/zinc/53/44/23/1193534423.db2.gz DQYWOKLHGPPXBY-UHFFFAOYSA-N 2 0 331.504 2.199 10 30 EEEERP CC#CC[NH+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001272826291 1193565063 /nfs/dbraw/zinc/56/50/63/1193565063.db2.gz RDMHCDYUPCBBNE-UHFFFAOYSA-N 2 0 331.504 2.200 10 30 EEEERP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](C/C=C\Cl)CC1 ZINC001483989468 1191144625 /nfs/dbraw/zinc/14/46/25/1191144625.db2.gz KOKGAWCAILVSEW-TWGQIWQCSA-N 2 0 325.884 2.005 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]CC[C@H](C)F)CC1 ZINC001485265455 1191710864 /nfs/dbraw/zinc/71/08/64/1191710864.db2.gz AJRIUYPTOXTYJJ-INIZCTEOSA-N 2 0 339.499 2.154 10 30 EEEERP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001486453405 1193975135 /nfs/dbraw/zinc/97/51/35/1193975135.db2.gz ZKUHWHAMVKBJLF-CABCVRRESA-N 2 0 347.425 2.111 10 30 EEEERP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001486520768 1194042537 /nfs/dbraw/zinc/04/25/37/1194042537.db2.gz IRRSHBQKNNRPGM-ROUUACIJSA-N 2 0 349.519 2.058 10 30 EEEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001273276681 1197945676 /nfs/dbraw/zinc/94/56/76/1197945676.db2.gz KXECPXHTGOQWFL-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000874511451 1198910853 /nfs/dbraw/zinc/91/08/53/1198910853.db2.gz VTSVTFHXNWEZHX-AZUAARDMSA-N 2 0 327.472 2.085 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000876723291 1199739691 /nfs/dbraw/zinc/73/96/91/1199739691.db2.gz RUZDACOUSQTDCQ-INIZCTEOSA-N 2 0 335.879 2.409 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000876735642 1199747412 /nfs/dbraw/zinc/74/74/12/1199747412.db2.gz ALMKUAGHVOYDEW-QGZVFWFLSA-N 2 0 335.879 2.485 10 30 EEEERP COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866666783 1201574352 /nfs/dbraw/zinc/57/43/52/1201574352.db2.gz WSRXDICIMXBYBZ-OTWHNJEPSA-N 2 0 341.455 2.484 10 30 EEEERP CC(C)NC(=[NH2+])NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000132411033 1202102653 /nfs/dbraw/zinc/10/26/53/1202102653.db2.gz ZNGKROSQOCRBDU-UHFFFAOYSA-N 2 0 329.492 2.031 10 30 EEEERP C=CC[NH2+]CCCOC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001276176819 1205815526 /nfs/dbraw/zinc/81/55/26/1205815526.db2.gz YYILPIXTYXOTIK-CALCHBBNSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001490770629 1291711117 /nfs/dbraw/zinc/71/11/17/1291711117.db2.gz DCQDWHGUVUSKQE-LJQANCHMSA-N 2 0 341.499 2.208 10 30 EEEERP C=CCOCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001277786207 1304484663 /nfs/dbraw/zinc/48/46/63/1304484663.db2.gz UTMQZSYVUBXGSI-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001277907037 1305050038 /nfs/dbraw/zinc/05/00/38/1305050038.db2.gz IJSQGJHJEGCKDX-CRAIPNDOSA-N 2 0 347.890 2.222 10 30 EEEERP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001278177009 1306181709 /nfs/dbraw/zinc/18/17/09/1306181709.db2.gz GUKQSEDUKPOSTK-IBGZPJMESA-N 2 0 343.515 2.058 10 30 EEEERP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001278184070 1306208622 /nfs/dbraw/zinc/20/86/22/1306208622.db2.gz GWZPWCFAAVGAEF-SJORKVTESA-N 2 0 337.483 2.003 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCC1 ZINC001278289034 1309042449 /nfs/dbraw/zinc/04/24/49/1309042449.db2.gz NBABGZNVWWVKQG-RBUKOAKNSA-N 2 0 333.520 2.395 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](CC(=C)C)C2)CC1 ZINC001278692956 1317755164 /nfs/dbraw/zinc/75/51/64/1317755164.db2.gz CCZIKGFYDSILEL-HXUWFJFHSA-N 2 0 331.504 2.126 10 30 EEEERP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001264018019 1322586116 /nfs/dbraw/zinc/58/61/16/1322586116.db2.gz UGOFRNWBFUFUGG-MISYRCLQSA-N 2 0 345.531 2.348 10 30 EEEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001264679259 1322780238 /nfs/dbraw/zinc/78/02/38/1322780238.db2.gz AMZZHXDNIFICJK-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001265436426 1323154969 /nfs/dbraw/zinc/15/49/69/1323154969.db2.gz FYLJJMKYWAYMOH-ZWKOTPCHSA-N 2 0 347.890 2.222 10 30 EEEERP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001266088063 1323645854 /nfs/dbraw/zinc/64/58/54/1323645854.db2.gz KXNPAJTXSGXXSL-HXUWFJFHSA-N 2 0 341.499 2.333 10 30 EEEERP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001279310982 1323870116 /nfs/dbraw/zinc/87/01/16/1323870116.db2.gz AUKNYEMDFLDASP-IBGZPJMESA-N 2 0 327.472 2.112 10 30 EEEERP C=CCC[C@@H](C)[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC001281784419 1325454863 /nfs/dbraw/zinc/45/48/63/1325454863.db2.gz UHDBUPXWRQFJCU-GOSISDBHSA-N 2 0 349.519 2.130 10 30 EEEERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001316621827 1325779495 /nfs/dbraw/zinc/77/94/95/1325779495.db2.gz SVEQIYZVYBIJSX-ZCNNSNEGSA-N 2 0 339.483 2.007 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001284364643 1326521553 /nfs/dbraw/zinc/52/15/53/1326521553.db2.gz RMNCEQFYKDKCTE-UONOGXRCSA-N 2 0 347.425 2.273 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001284377596 1326528078 /nfs/dbraw/zinc/52/80/78/1326528078.db2.gz YGHSOAQTZSWFAS-LSDHHAIUSA-N 2 0 347.425 2.131 10 30 EEEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001316882326 1331948825 /nfs/dbraw/zinc/94/88/25/1331948825.db2.gz TUDCESQAROZREJ-FUHWJXTLSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001317034995 1332052382 /nfs/dbraw/zinc/05/23/82/1332052382.db2.gz QQTCTVYGWPESNV-FQEVSTJZSA-N 2 0 343.515 2.316 10 30 EEEERP C=CCOCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317384499 1332209446 /nfs/dbraw/zinc/20/94/46/1332209446.db2.gz XHBGZYMRECKBFK-QGZVFWFLSA-N 2 0 339.524 2.090 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001326225213 1334048245 /nfs/dbraw/zinc/04/82/45/1334048245.db2.gz SQSGAHXFUGVQMI-RHSMWYFYSA-N 2 0 346.500 2.042 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328098611 1334395823 /nfs/dbraw/zinc/39/58/23/1334395823.db2.gz PDBJRPPIDPQCRW-MSOLQXFVSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2ccccc2F)CC1 ZINC001328459806 1334461801 /nfs/dbraw/zinc/46/18/01/1334461801.db2.gz UUGPHDOXXBKIDQ-INIZCTEOSA-N 2 0 345.462 2.155 10 30 EEEERP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001328805911 1334525356 /nfs/dbraw/zinc/52/53/56/1334525356.db2.gz GUICNHOCTHESAN-MSOLQXFVSA-N 2 0 333.520 2.465 10 30 EEEERP C=CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC001332221881 1335773660 /nfs/dbraw/zinc/77/36/60/1335773660.db2.gz PIHPVUNRYYQEEO-RTBURBONSA-N 2 0 329.488 2.364 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](C[C@H](C)CC(C)C)C2)CC1 ZINC001506678559 1342311514 /nfs/dbraw/zinc/31/15/14/1342311514.db2.gz JPTOGBQZJCYFEW-QZTJIDSGSA-N 2 0 347.547 2.450 10 30 EEEERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567208619 1342712188 /nfs/dbraw/zinc/71/21/88/1342712188.db2.gz RTBDSKFICGDKNX-QAPCUYQASA-N 2 0 347.890 2.270 10 30 EEEERP C#CCN(C(=O)CCC[NH+]1CCCC1)C1CC[NH+](CCC=C)CC1 ZINC001569595788 1342905285 /nfs/dbraw/zinc/90/52/85/1342905285.db2.gz AUCMIFNPAWRSQR-UHFFFAOYSA-N 2 0 331.504 2.365 10 30 EEEERP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001569843046 1342956526 /nfs/dbraw/zinc/95/65/26/1342956526.db2.gz IQODMNDNQAGRSB-MJGOQNOKSA-N 2 0 341.499 2.112 10 30 EEEERP CC#CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001676821123 1357213934 /nfs/dbraw/zinc/21/39/34/1357213934.db2.gz RFFGSYJKMOTMIX-ICSRJNTNSA-N 2 0 331.504 2.389 10 30 EEEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCN1CCOCC1 ZINC001660464778 1354468836 /nfs/dbraw/zinc/46/88/36/1354468836.db2.gz LVHXHDSDRDOZFC-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001671432750 1356338137 /nfs/dbraw/zinc/33/81/37/1356338137.db2.gz XAPMYHHWBVUKER-ROUUACIJSA-N 2 0 349.519 2.177 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC[NH+](CC2CC2)CC1 ZINC001671487085 1356348330 /nfs/dbraw/zinc/34/83/30/1356348330.db2.gz KOWMIGGFBGLWFN-IBGZPJMESA-N 2 0 345.531 2.445 10 30 EEEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001671758384 1356409352 /nfs/dbraw/zinc/40/93/52/1356409352.db2.gz IQZPRWCLHGOWIB-IBGZPJMESA-N 2 0 339.443 2.285 10 30 EEEERP C#CC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001671854019 1356425450 /nfs/dbraw/zinc/42/54/50/1356425450.db2.gz KCCQFAZRLIYKTF-UHFFFAOYSA-N 2 0 341.499 2.012 10 30 EEEERP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001698767274 1405051890 /nfs/dbraw/zinc/05/18/90/1405051890.db2.gz DKNVRXNCZRCBEW-QAPCUYQASA-N 2 0 349.906 2.374 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001699767792 1405476817 /nfs/dbraw/zinc/47/68/17/1405476817.db2.gz XCKSMFOHOJDFAC-HXUWFJFHSA-N 2 0 345.531 2.493 10 30 EEEERP C#CCN(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914078584 794839176 /nfs/dbraw/zinc/83/91/76/794839176.db2.gz FIXFIVYPDLINIU-ROUUACIJSA-N 2 0 348.535 2.093 10 30 EEEERP C#CCN(C(=O)NC[C@H]1CCCC[N@H+]1CCCC)C1CC[NH+](C)CC1 ZINC000917578912 798286537 /nfs/dbraw/zinc/28/65/37/798286537.db2.gz ZJSJQMSGSYNTOG-LJQANCHMSA-N 2 0 348.535 2.380 10 30 EEEERP CCO[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+](C)C ZINC000922754044 801819082 /nfs/dbraw/zinc/81/90/82/801819082.db2.gz MCBSGWMOQMGLDZ-HXUWFJFHSA-N 2 0 344.503 2.079 10 30 EEEERP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001438851134 1091488476 /nfs/dbraw/zinc/48/84/76/1091488476.db2.gz QBNZRQFZRUXSER-SFHVURJKSA-N 2 0 348.466 2.268 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001441849722 1095934445 /nfs/dbraw/zinc/93/44/45/1095934445.db2.gz MYJXOQCTMDKFQK-YJBOKZPZSA-N 2 0 328.460 2.025 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC001442402921 1096725030 /nfs/dbraw/zinc/72/50/30/1096725030.db2.gz DEVOEFBTGMOSOI-GOSISDBHSA-N 2 0 346.450 2.118 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001480085542 1099639625 /nfs/dbraw/zinc/63/96/25/1099639625.db2.gz QPZWCKJBNCSLCT-RBUKOAKNSA-N 2 0 333.520 2.443 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480472059 1100279186 /nfs/dbraw/zinc/27/91/86/1100279186.db2.gz MRKQNJQTIJIIML-QFBILLFUSA-N 2 0 345.462 2.146 10 30 EEEERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001480486234 1100296470 /nfs/dbraw/zinc/29/64/70/1100296470.db2.gz KUBHGRGKEOBZFW-WMLDXEAASA-N 2 0 335.879 2.126 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001494082368 1103493105 /nfs/dbraw/zinc/49/31/05/1103493105.db2.gz FAOUGIJFYVBNNY-QGZVFWFLSA-N 2 0 342.487 2.227 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001494317538 1103890620 /nfs/dbraw/zinc/89/06/20/1103890620.db2.gz KEACEDRZXRNAKN-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001495004153 1104646818 /nfs/dbraw/zinc/64/68/18/1104646818.db2.gz UDHACCGOAPONBA-MRXNPFEDSA-N 2 0 346.450 2.166 10 30 EEEERP C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001480788500 1107119261 /nfs/dbraw/zinc/11/92/61/1107119261.db2.gz LYXJPTVUKPLXEK-CQSZACIVSA-N 2 0 346.450 2.024 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001498978600 1108407927 /nfs/dbraw/zinc/40/79/27/1108407927.db2.gz HEXITTJASXTGNC-MJGOQNOKSA-N 2 0 349.519 2.034 10 30 EEEERP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001479424736 1110695135 /nfs/dbraw/zinc/69/51/35/1110695135.db2.gz KLLGLLKPLHFKKB-XUVXKRRUSA-N 2 0 341.499 2.180 10 30 EEEERP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001499528143 1112343881 /nfs/dbraw/zinc/34/38/81/1112343881.db2.gz SDSIDNUMUGRHDB-UHFFFAOYSA-N 2 0 343.515 2.341 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001499913011 1112537960 /nfs/dbraw/zinc/53/79/60/1112537960.db2.gz UENBNAFUIWXNPS-SFHVURJKSA-N 2 0 327.472 2.008 10 30 EEEERP C#CCC[NH+]1CCc2c(CNC(=O)CC[N@@H+](C)CCC)cccc2C1 ZINC001501856844 1113499657 /nfs/dbraw/zinc/49/96/57/1113499657.db2.gz JLPFDIRZAUHYNW-UHFFFAOYSA-N 2 0 341.499 2.416 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001506938061 1114987862 /nfs/dbraw/zinc/98/78/62/1114987862.db2.gz JXKKVSCYIOOTDR-SJORKVTESA-N 2 0 342.487 2.275 10 30 EEEERP C=CCOCC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001568000946 1124224439 /nfs/dbraw/zinc/22/44/39/1124224439.db2.gz MCYFJLBCURYVDN-QZTJIDSGSA-N 2 0 349.519 2.225 10 30 EEEERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001569258820 1125200670 /nfs/dbraw/zinc/20/06/70/1125200670.db2.gz KXKPWSJJCQQDSC-LJQANCHMSA-N 2 0 329.488 2.062 10 30 EEEERP O=C(C[NH2+][C@H]1CCC(=O)NC12CCC2)NC1CC[NH+](C2CC2)CC1 ZINC000328690772 465101876 /nfs/dbraw/zinc/10/18/76/465101876.db2.gz IMATYWOYNGTWAD-HNNXBMFYSA-N 2 0 334.464 2.201 10 30 EEEERP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000329197318 465263972 /nfs/dbraw/zinc/26/39/72/465263972.db2.gz UDQSPJIIDRAURP-QFBILLFUSA-N 2 0 347.507 2.491 10 30 EEEERP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)CC1 ZINC000245713084 464508963 /nfs/dbraw/zinc/50/89/63/464508963.db2.gz GJJYYRILEHEHRU-MJGOQNOKSA-N 2 0 342.487 2.189 10 30 EEEERP CC(C)C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(=O)NCC[NH+](C)C ZINC000353659269 466046209 /nfs/dbraw/zinc/04/62/09/466046209.db2.gz QEBPSJFTTPVCQA-OALUTQOASA-N 2 0 342.487 2.228 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000594441901 468588751 /nfs/dbraw/zinc/58/87/51/468588751.db2.gz YAWMDXCBIKMZSO-GOSISDBHSA-N 2 0 328.460 2.310 10 30 EEEERP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599284695 469191122 /nfs/dbraw/zinc/19/11/22/469191122.db2.gz XYEYNTXDEPQKMV-GOSISDBHSA-N 2 0 337.508 2.110 10 30 EEEERP N#CC1(C[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCOCC1 ZINC000599335348 469216242 /nfs/dbraw/zinc/21/62/42/469216242.db2.gz SVHYGLGEZKKCOX-NEWSRXKRSA-N 2 0 347.503 2.006 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000626937849 469762737 /nfs/dbraw/zinc/76/27/37/469762737.db2.gz WJKNSKNYWPJSNE-SJORKVTESA-N 2 0 334.508 2.269 10 30 EEEERP C=CC[C@@]1(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCC[NH2+]1 ZINC000662799935 472257089 /nfs/dbraw/zinc/25/70/89/472257089.db2.gz AXHJGHYWJMSOGW-JXFKEZNVSA-N 2 0 342.487 2.422 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001671497184 1176843382 /nfs/dbraw/zinc/84/33/82/1176843382.db2.gz NPYUAKMFTIXERY-HKUYNNGSSA-N 2 0 331.504 2.338 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](CC1CCC(C)CC1)C1CC1 ZINC001266596436 1176911033 /nfs/dbraw/zinc/91/10/33/1176911033.db2.gz FDLXJYRJVCEEKA-QLOJAFMTSA-N 2 0 345.531 2.491 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267088161 1178213543 /nfs/dbraw/zinc/21/35/43/1178213543.db2.gz XUBVWAMBWHXDJP-VQTJNVASSA-N 2 0 341.499 2.397 10 30 EEEERP CC(C)[N@@H+](CC#Cc1ccccc1)CCCNC(=O)CC[NH+](C)C ZINC001267319842 1178749963 /nfs/dbraw/zinc/74/99/63/1178749963.db2.gz UVNWRZJUHBDZSG-UHFFFAOYSA-N 2 0 329.488 2.207 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C(F)(F)F ZINC001691446359 1178831264 /nfs/dbraw/zinc/83/12/64/1178831264.db2.gz VINNCPUNKQFMQK-ZIAGYGMSSA-N 2 0 347.425 2.131 10 30 EEEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001267733336 1180327320 /nfs/dbraw/zinc/32/73/20/1180327320.db2.gz LETXBCYQXIMMGR-MOPGFXCFSA-N 2 0 331.504 2.197 10 30 EEEERP C=C(Br)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001481812900 1182727117 /nfs/dbraw/zinc/72/71/17/1182727117.db2.gz AZQJJYNMRJHOGT-HZSPNIEDSA-N 2 0 346.313 2.110 10 30 EEEERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1 ZINC001481839559 1182782829 /nfs/dbraw/zinc/78/28/29/1182782829.db2.gz WWEJJRXQWBVWOD-LJQANCHMSA-N 2 0 341.499 2.397 10 30 EEEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001269565240 1184396195 /nfs/dbraw/zinc/39/61/95/1184396195.db2.gz SGKOLIZTNJJADD-FBVQUNGASA-N 2 0 337.483 2.191 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001269797879 1184626944 /nfs/dbraw/zinc/62/69/44/1184626944.db2.gz DTKNZZBDORXJAG-OALUTQOASA-N 2 0 333.520 2.348 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001270650840 1185266996 /nfs/dbraw/zinc/26/69/96/1185266996.db2.gz NLKXQSLVAKJLGL-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001270807182 1185406404 /nfs/dbraw/zinc/40/64/04/1185406404.db2.gz WGUYCZCLZNVVLC-ZWKOTPCHSA-N 2 0 349.519 2.225 10 30 EEEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001271892293 1186586057 /nfs/dbraw/zinc/58/60/57/1186586057.db2.gz RDDARLWGCHFEJP-OKYOBFRVSA-N 2 0 333.520 2.463 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001482686078 1187654594 /nfs/dbraw/zinc/65/45/94/1187654594.db2.gz ZANAKSSYMZXAKB-JKSUJKDBSA-N 2 0 339.911 2.489 10 30 EEEERP C#CCNC(=O)CC[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905710221 1189879676 /nfs/dbraw/zinc/87/96/76/1189879676.db2.gz VSDMDJUQBFOVRZ-AABGKKOBSA-N 2 0 339.483 2.016 10 30 EEEERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001485944245 1193653957 /nfs/dbraw/zinc/65/39/57/1193653957.db2.gz LGYLRFRGIATRAX-QAPCUYQASA-N 2 0 349.906 2.468 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483260959 1190285962 /nfs/dbraw/zinc/28/59/62/1190285962.db2.gz QUPJSNBJEAIDEF-HNNXBMFYSA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001483818943 1191046917 /nfs/dbraw/zinc/04/69/17/1191046917.db2.gz XMGWIGMOMKXJPF-FQEVSTJZSA-N 2 0 345.531 2.443 10 30 EEEERP C[NH+](C)CCC(=O)NCC1(C)CC[NH+](CC#Cc2ccccc2)CC1 ZINC001484142543 1191238149 /nfs/dbraw/zinc/23/81/49/1191238149.db2.gz UPWFXSUAKSKWBW-UHFFFAOYSA-N 2 0 341.499 2.208 10 30 EEEERP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001484393545 1191332374 /nfs/dbraw/zinc/33/23/74/1191332374.db2.gz AVHXBXUFNKYBSL-LNLFQRSKSA-N 2 0 333.520 2.417 10 30 EEEERP C#CCC[N@H+]1Cc2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2C1 ZINC001484875778 1191559417 /nfs/dbraw/zinc/55/94/17/1191559417.db2.gz RDCGVAQEFVNLIR-UHFFFAOYSA-N 2 0 339.483 2.374 10 30 EEEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001485030520 1191620914 /nfs/dbraw/zinc/62/09/14/1191620914.db2.gz DHGHXJOVWLECEH-UHFFFAOYSA-N 2 0 345.531 2.446 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001485228577 1191698531 /nfs/dbraw/zinc/69/85/31/1191698531.db2.gz DLXVQXPLSFMLHL-IAGOWNOFSA-N 2 0 327.472 2.015 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001485439427 1191785464 /nfs/dbraw/zinc/78/54/64/1191785464.db2.gz GTVSNLABDDSNDL-HNNXBMFYSA-N 2 0 327.900 2.297 10 30 EEEERP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001486453407 1193974983 /nfs/dbraw/zinc/97/49/83/1193974983.db2.gz ZKUHWHAMVKBJLF-HUUCEWRRSA-N 2 0 347.425 2.111 10 30 EEEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCOCC1 ZINC001273980181 1202185419 /nfs/dbraw/zinc/18/54/19/1202185419.db2.gz VPKYSHYCTSTWLX-MSOLQXFVSA-N 2 0 349.519 2.225 10 30 EEEERP C#CCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC000886577303 1202526262 /nfs/dbraw/zinc/52/62/62/1202526262.db2.gz CVVXLZPAJLASSD-UHFFFAOYSA-N 2 0 339.483 2.452 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CCC2)CC1 ZINC001037123390 1213913231 /nfs/dbraw/zinc/91/32/31/1213913231.db2.gz UUGSIURQFHXYKA-OALUTQOASA-N 2 0 331.504 2.006 10 30 EEEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1Cl ZINC000305082764 1216144719 /nfs/dbraw/zinc/14/47/19/1216144719.db2.gz MWLAFVHGBUSGIP-CQSZACIVSA-N 2 0 338.883 2.280 10 30 EEEERP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001490609818 1291520999 /nfs/dbraw/zinc/52/09/99/1291520999.db2.gz LSZRYCYXWJQIMX-SFHVURJKSA-N 2 0 331.504 2.247 10 30 EEEERP C=CC[N@H+]1CCC2(CN(C(=O)c3ccccc3CC[NH+](C)C)C2)C1 ZINC001253539664 1317879155 /nfs/dbraw/zinc/87/91/55/1317879155.db2.gz VVAMPIULRGVMEJ-UHFFFAOYSA-N 2 0 327.472 2.125 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001265092073 1322915848 /nfs/dbraw/zinc/91/58/48/1322915848.db2.gz NDBPJTBTJGBRDW-QFBILLFUSA-N 2 0 331.504 2.101 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001265368675 1323102193 /nfs/dbraw/zinc/10/21/93/1323102193.db2.gz VXTMPYQHGBQKFZ-RBUKOAKNSA-N 2 0 331.504 2.291 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001265501859 1323185272 /nfs/dbraw/zinc/18/52/72/1323185272.db2.gz SQGUOGOJUSRQLA-QAQDUYKDSA-N 2 0 347.890 2.270 10 30 EEEERP CC[C@H](C(=O)NCCC[N@H+](C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001265871904 1323444632 /nfs/dbraw/zinc/44/46/32/1323444632.db2.gz IYEWQEDQJQZWBR-GOSISDBHSA-N 2 0 349.906 2.470 10 30 EEEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001266102912 1323667594 /nfs/dbraw/zinc/66/75/94/1323667594.db2.gz NIWQANQKIYUOQF-RBUKOAKNSA-N 2 0 331.504 2.340 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001279598317 1323953374 /nfs/dbraw/zinc/95/33/74/1323953374.db2.gz VTNDVYHZUVZCCK-OALUTQOASA-N 2 0 349.519 2.130 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001280198175 1324111002 /nfs/dbraw/zinc/11/10/02/1324111002.db2.gz OFTDBXXJTXOWML-APWZRJJASA-N 2 0 337.483 2.050 10 30 EEEERP C#CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001281776585 1325449501 /nfs/dbraw/zinc/44/95/01/1325449501.db2.gz OEBIDPXWGGYFTD-IBGZPJMESA-N 2 0 327.472 2.067 10 30 EEEERP CC#CC[NH2+]CC1CC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001282066410 1325606857 /nfs/dbraw/zinc/60/68/57/1325606857.db2.gz IWNHORNKCZONBL-KVZIAJEVSA-N 2 0 327.472 2.187 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001282220024 1325654801 /nfs/dbraw/zinc/65/48/01/1325654801.db2.gz NPEFUNIQMDUJOT-MSOLQXFVSA-N 2 0 329.488 2.253 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283178514 1325945976 /nfs/dbraw/zinc/94/59/76/1325945976.db2.gz RPNYWCPWTHUGHK-FRQCXROJSA-N 2 0 342.487 2.273 10 30 EEEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001284374737 1326526684 /nfs/dbraw/zinc/52/66/84/1326526684.db2.gz RTAQDCHNBQKRQO-HUUCEWRRSA-N 2 0 347.425 2.275 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001491683251 1330204642 /nfs/dbraw/zinc/20/46/42/1330204642.db2.gz RDDNCHGUEBXMLF-QAPCUYQASA-N 2 0 328.460 2.027 10 30 EEEERP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001316861392 1331662412 /nfs/dbraw/zinc/66/24/12/1331662412.db2.gz CNSQLFXFUMTHFR-GOSISDBHSA-N 2 0 348.466 2.222 10 30 EEEERP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001317883613 1332440500 /nfs/dbraw/zinc/44/05/00/1332440500.db2.gz CVTRQDWVEVRVOF-LJQANCHMSA-N 2 0 333.520 2.301 10 30 EEEERP C=CC[NH2+]C[C@@](C)(NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001318712728 1332581972 /nfs/dbraw/zinc/58/19/72/1332581972.db2.gz IUWQPVPTABAUCR-QZTJIDSGSA-N 2 0 325.472 2.259 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001318804586 1332601037 /nfs/dbraw/zinc/60/10/37/1332601037.db2.gz KLRDRKKDKIKQAM-GOSISDBHSA-N 2 0 331.504 2.104 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001319697161 1332744953 /nfs/dbraw/zinc/74/49/53/1332744953.db2.gz RWXDQTPPWOICRZ-FXAWDEMLSA-N 2 0 341.499 2.254 10 30 EEEERP C[C@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320464927 1332890188 /nfs/dbraw/zinc/89/01/88/1332890188.db2.gz VVOZUUFNBVGJQE-KDOFPFPSSA-N 2 0 346.450 2.166 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001322347434 1333251641 /nfs/dbraw/zinc/25/16/41/1333251641.db2.gz SOVYKKQUVRZMDO-ICSRJNTNSA-N 2 0 341.499 2.302 10 30 EEEERP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC=C(C)C)CC1 ZINC001324432004 1333681576 /nfs/dbraw/zinc/68/15/76/1333681576.db2.gz MZMIZMNRKBXABX-GOSISDBHSA-N 2 0 331.504 2.221 10 30 EEEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001328017581 1334379236 /nfs/dbraw/zinc/37/92/36/1334379236.db2.gz MHDYGKMONIMBSE-LJQANCHMSA-N 2 0 337.483 2.193 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(F)c1 ZINC001333471633 1336054830 /nfs/dbraw/zinc/05/48/30/1336054830.db2.gz OQXAJKJSDGQCBM-IBGZPJMESA-N 2 0 345.462 2.428 10 30 EEEERP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC001344011350 1337360939 /nfs/dbraw/zinc/36/09/39/1337360939.db2.gz MNMSGSJWKJTLRM-UAGQMJEPSA-N 2 0 349.450 2.080 10 30 EEEERP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001667332649 1355712814 /nfs/dbraw/zinc/71/28/14/1355712814.db2.gz OSCXUYQLHUZZGT-IEBWSBKVSA-N 2 0 341.499 2.254 10 30 EEEERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC001502754350 1342229278 /nfs/dbraw/zinc/22/92/78/1342229278.db2.gz PCRMLMULAHVLAE-QUCCMNQESA-N 2 0 341.499 2.207 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001567504604 1342773589 /nfs/dbraw/zinc/77/35/89/1342773589.db2.gz QAXXNNXKQTVWGY-INIZCTEOSA-N 2 0 334.489 2.042 10 30 EEEERP CC[C@H](C(=O)N(C)CCC[N@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001570216007 1343033011 /nfs/dbraw/zinc/03/30/11/1343033011.db2.gz RJVMPYQYTHMILS-LJQANCHMSA-N 2 0 347.478 2.298 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001570219865 1343034563 /nfs/dbraw/zinc/03/45/63/1343034563.db2.gz IGALVEBRLDZRTN-RBUKOAKNSA-N 2 0 333.520 2.301 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)C[NH+]1CCCC1 ZINC001571324198 1343181383 /nfs/dbraw/zinc/18/13/83/1343181383.db2.gz ACSULXDJSRAYNX-AWEZNQCLSA-N 2 0 334.489 2.090 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)c1 ZINC001677645254 1357382766 /nfs/dbraw/zinc/38/27/66/1357382766.db2.gz VHYJURRQQKUCCQ-RDJZCZTQSA-N 2 0 345.462 2.285 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001657076483 1354318053 /nfs/dbraw/zinc/31/80/53/1354318053.db2.gz ZZRCDUZSLFZZJC-FQEVSTJZSA-N 2 0 341.499 2.350 10 30 EEEERP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001660466067 1354469150 /nfs/dbraw/zinc/46/91/50/1354469150.db2.gz PWKYDFGGJFZXLV-YLJYHZDGSA-N 2 0 341.499 2.397 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001661235649 1354615233 /nfs/dbraw/zinc/61/52/33/1354615233.db2.gz MADOSUAGGAUXRR-LJQANCHMSA-N 2 0 333.520 2.446 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001664392063 1355152843 /nfs/dbraw/zinc/15/28/43/1355152843.db2.gz WYLZZZKFPFYQQX-MRXNPFEDSA-N 2 0 345.462 2.280 10 30 EEEERP C#CC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC[C@@H]1C ZINC001666061665 1355436819 /nfs/dbraw/zinc/43/68/19/1355436819.db2.gz JDLUNLWUFTXWQA-PXNSSMCTSA-N 2 0 333.520 2.395 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001667771887 1355812767 /nfs/dbraw/zinc/81/27/67/1355812767.db2.gz USHIAQXHJSHUNZ-UXHICEINSA-N 2 0 341.499 2.253 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001668623023 1355974588 /nfs/dbraw/zinc/97/45/88/1355974588.db2.gz HHRAXUNXZWERDD-GOSISDBHSA-N 2 0 348.466 2.222 10 30 EEEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001669846063 1356224038 /nfs/dbraw/zinc/22/40/38/1356224038.db2.gz QQAGRWWRAYTHIY-HNNXBMFYSA-N 2 0 327.432 2.284 10 30 EEEERP C=CCOCC[NH+]1CCC(C)(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001671842843 1356424597 /nfs/dbraw/zinc/42/45/97/1356424597.db2.gz PLKLGCQBDKNYKF-UHFFFAOYSA-N 2 0 349.519 2.036 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001672373321 1356510906 /nfs/dbraw/zinc/51/09/06/1356510906.db2.gz SQHLYFJLPLGUST-IYARVYRRSA-N 2 0 333.520 2.396 10 30 EEEERP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001672392791 1356514419 /nfs/dbraw/zinc/51/44/19/1356514419.db2.gz PUKWVAZYJKWWRM-IBGZPJMESA-N 2 0 327.472 2.112 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)C(C)C ZINC001675585322 1357008886 /nfs/dbraw/zinc/00/88/86/1357008886.db2.gz VNIAEWSWFIXODV-GGPKGHCWSA-N 2 0 348.535 2.278 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21)C(C)C ZINC001681567420 1358033667 /nfs/dbraw/zinc/03/36/67/1358033667.db2.gz FAQWKOOOTHBNKL-WJFTUGDTSA-N 2 0 348.535 2.324 10 30 EEEERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001698621854 1405012335 /nfs/dbraw/zinc/01/23/35/1405012335.db2.gz ZGGFRDFSSFSEOF-MJGOQNOKSA-N 2 0 345.462 2.003 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@@H](F)CC)CCCC2)CC1 ZINC001698804355 1405078094 /nfs/dbraw/zinc/07/80/94/1405078094.db2.gz UKXIIDNQJOHVPR-KRWDZBQOSA-N 2 0 337.483 2.098 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](CCC)CC2CC2)CC1 ZINC001699687268 1405440483 /nfs/dbraw/zinc/44/04/83/1405440483.db2.gz BEUVCJLHHUOLKH-IBGZPJMESA-N 2 0 331.504 2.197 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001699982383 1405624300 /nfs/dbraw/zinc/62/43/00/1405624300.db2.gz VRTKBUHIOCVLQU-FHWLQOOXSA-N 2 0 333.520 2.396 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC000939808471 777422445 /nfs/dbraw/zinc/42/24/45/777422445.db2.gz DWFGWRUXZILCBF-APWZRJJASA-N 2 0 345.531 2.204 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)CC2CCCC2)CC1 ZINC001566576092 1125756192 /nfs/dbraw/zinc/75/61/92/1125756192.db2.gz BYQWGFUMPXKRFT-UHFFFAOYSA-N 2 0 333.520 2.350 10 30 EEEERP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001436970559 1088663543 /nfs/dbraw/zinc/66/35/43/1088663543.db2.gz ZHBZJZOXPLGNPE-MJBXVCDLSA-N 2 0 346.313 2.252 10 30 EEEERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1C#N ZINC001448707300 1093774418 /nfs/dbraw/zinc/77/44/18/1093774418.db2.gz GMACDPUZWARCGF-IKGGRYGDSA-N 2 0 342.487 2.225 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001449054980 1094070688 /nfs/dbraw/zinc/07/06/88/1094070688.db2.gz JUOMSUNIFQQLQH-RDJZCZTQSA-N 2 0 346.450 2.024 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001449058865 1094074579 /nfs/dbraw/zinc/07/45/79/1094074579.db2.gz NPRSYIWVJSINCJ-WBVHZDCISA-N 2 0 346.450 2.024 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001440928406 1094181438 /nfs/dbraw/zinc/18/14/38/1094181438.db2.gz JIZJYDZDQSUBMZ-QFBILLFUSA-N 2 0 342.487 2.369 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001441257569 1094657022 /nfs/dbraw/zinc/65/70/22/1094657022.db2.gz HVPOASCPIRNGMP-GOSISDBHSA-N 2 0 342.487 2.227 10 30 EEEERP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001444198649 1098752933 /nfs/dbraw/zinc/75/29/33/1098752933.db2.gz KQWHDIQXIPEZOA-QGZVFWFLSA-N 2 0 335.879 2.487 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480208373 1099815985 /nfs/dbraw/zinc/81/59/85/1099815985.db2.gz CLMDAASNJOUSOP-CEXWTWQISA-N 2 0 340.471 2.169 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CC[C@@H](C)F)CC1 ZINC001480368486 1100145146 /nfs/dbraw/zinc/14/51/46/1100145146.db2.gz YFUOOYJPNADTFX-SJLPKXTDSA-N 2 0 337.483 2.050 10 30 EEEERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001480521796 1100352230 /nfs/dbraw/zinc/35/22/30/1100352230.db2.gz LFHISYHWFFOKRC-VQIMIIECSA-N 2 0 342.487 2.275 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC[C@H](C)F)CCCC2)CC1 ZINC001495964067 1101849042 /nfs/dbraw/zinc/84/90/42/1101849042.db2.gz XNLHZPOKAPJTNV-INIZCTEOSA-N 2 0 337.483 2.098 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)CC[NH+](C)C ZINC001497447746 1102503753 /nfs/dbraw/zinc/50/37/53/1102503753.db2.gz QCGABWCNQFIZDO-UHFFFAOYSA-N 2 0 335.879 2.081 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)C[NH+]1CCC(C)CC1 ZINC001497470966 1102541173 /nfs/dbraw/zinc/54/11/73/1102541173.db2.gz HGFRQLANMMDUBN-UHFFFAOYSA-N 2 0 342.487 2.228 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001447627684 1102995627 /nfs/dbraw/zinc/99/56/27/1102995627.db2.gz MJIWHDSBKQLIBH-VQIMIIECSA-N 2 0 342.487 2.368 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001494018341 1103353582 /nfs/dbraw/zinc/35/35/82/1103353582.db2.gz LPCHAFVEKHRGAP-HOTGVXAUSA-N 2 0 327.900 2.442 10 30 EEEERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001495048014 1104685744 /nfs/dbraw/zinc/68/57/44/1104685744.db2.gz BFXXLRXQVIDQRM-QGZVFWFLSA-N 2 0 335.879 2.128 10 30 EEEERP C=CC[N@@H+](CCNC(=O)[C@@H]1CN(CC)CCO1)C1CCCCCC1 ZINC001499523106 1112339634 /nfs/dbraw/zinc/33/96/34/1112339634.db2.gz JIAZEPRFAAZCQY-SFHVURJKSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001499842971 1112508362 /nfs/dbraw/zinc/50/83/62/1112508362.db2.gz DMNMPVYQEIFANH-FXAWDEMLSA-N 2 0 341.499 2.397 10 30 EEEERP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001500039122 1112588537 /nfs/dbraw/zinc/58/85/37/1112588537.db2.gz IXJWKGSTOMGMGI-MRXNPFEDSA-N 2 0 337.483 2.145 10 30 EEEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001503001737 1113870225 /nfs/dbraw/zinc/87/02/25/1113870225.db2.gz IZWHDYQUGXYKRG-SJORKVTESA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001505813464 1114209365 /nfs/dbraw/zinc/20/93/65/1114209365.db2.gz PFLCOZKFNHKLDV-QGZVFWFLSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001507363539 1115223651 /nfs/dbraw/zinc/22/36/51/1115223651.db2.gz LXTOHTDLCLUUTC-OWCLPIDISA-N 2 0 327.900 2.297 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001507396265 1115249832 /nfs/dbraw/zinc/24/98/32/1115249832.db2.gz BVPYHCMYVDBRCT-GDBMZVCRSA-N 2 0 333.501 2.321 10 30 EEEERP C#CCC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001508230749 1115455518 /nfs/dbraw/zinc/45/55/18/1115455518.db2.gz TWTOYQLDNQDNIJ-IBGZPJMESA-N 2 0 331.504 2.269 10 30 EEEERP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001568437622 1124505383 /nfs/dbraw/zinc/50/53/83/1124505383.db2.gz BTZANNZUYLRXAE-OALUTQOASA-N 2 0 331.504 2.197 10 30 EEEERP CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001568800991 1124814719 /nfs/dbraw/zinc/81/47/19/1124814719.db2.gz YNMPLMDHBUJOOV-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C=C(C)C[NH2+]Cc1cn(CCN2CCC([NH+]3CCCC3)CC2)nc1C ZINC000065407021 462766334 /nfs/dbraw/zinc/76/63/34/462766334.db2.gz NZUFPKLHRPIMTJ-UHFFFAOYSA-N 2 0 345.535 2.417 10 30 EEEERP C=CC[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000662794801 472254881 /nfs/dbraw/zinc/25/48/81/472254881.db2.gz UBUNEKXWQDHVNN-ILZDJORESA-N 2 0 327.472 2.321 10 30 EEEERP C[C@@]1(CNC(=[NH2+])N2CCSCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000162457880 682016148 /nfs/dbraw/zinc/01/61/48/682016148.db2.gz MFIQRTIEMRCBSI-SFHVURJKSA-N 2 0 332.517 2.405 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](CC)c1ccccc1 ZINC001480874672 1176548717 /nfs/dbraw/zinc/54/87/17/1176548717.db2.gz JMEKKGWRGXQOOV-MOPGFXCFSA-N 2 0 327.472 2.283 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001772542524 1177421300 /nfs/dbraw/zinc/42/13/00/1177421300.db2.gz CBUOODDSRSQHKA-QZTJIDSGSA-N 2 0 347.507 2.042 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCCCF)CC1 ZINC001691075238 1177528909 /nfs/dbraw/zinc/52/89/09/1177528909.db2.gz QJIJMGLNIUYPLM-GOSISDBHSA-N 2 0 337.483 2.004 10 30 EEEERP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC#Cc1ccccc1 ZINC001267133376 1178304640 /nfs/dbraw/zinc/30/46/40/1178304640.db2.gz FLMJRNNACGCEAZ-GOSISDBHSA-N 2 0 339.483 2.151 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001267832256 1180602807 /nfs/dbraw/zinc/60/28/07/1180602807.db2.gz ZASGRFQKLPSXJH-YVGNARHYSA-N 2 0 346.302 2.135 10 30 EEEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001481583828 1181790363 /nfs/dbraw/zinc/79/03/63/1181790363.db2.gz LNVNJJXBGWMXCM-AHRSYUTCSA-N 2 0 341.499 2.487 10 30 EEEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001691501366 1182091022 /nfs/dbraw/zinc/09/10/22/1182091022.db2.gz OULBHCYDYIYVNP-IIDMSEBBSA-N 2 0 345.491 2.241 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268439742 1182614976 /nfs/dbraw/zinc/61/49/76/1182614976.db2.gz UHCLPHZHQPDARD-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP CC[C@@H](C(=O)N(CC)[C@@H]1CCN(CC#Cc2ccccc2)C1)[NH+](C)C ZINC001481776934 1182674628 /nfs/dbraw/zinc/67/46/28/1182674628.db2.gz CCKRESDZEOSDOP-UXHICEINSA-N 2 0 341.499 2.301 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001482068388 1183292552 /nfs/dbraw/zinc/29/25/52/1183292552.db2.gz KZNLUHUMQSWMOZ-LJQANCHMSA-N 2 0 345.462 2.098 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001482109550 1183339649 /nfs/dbraw/zinc/33/96/49/1183339649.db2.gz GLDULSWLRYQVLG-MJGOQNOKSA-N 2 0 345.531 2.396 10 30 EEEERP CN(CCC[NH2+]Cc1cccc(C#N)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268799166 1183715398 /nfs/dbraw/zinc/71/53/98/1183715398.db2.gz VXVXPVDVUYUVPK-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001284376652 1183887196 /nfs/dbraw/zinc/88/71/96/1183887196.db2.gz WSQPEVXTDLMRCK-UONOGXRCSA-N 2 0 335.414 2.129 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001269109060 1183971635 /nfs/dbraw/zinc/97/16/35/1183971635.db2.gz CMXMVWQUGUWZPL-IBGZPJMESA-N 2 0 345.462 2.003 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(N(CC#N)CC2CC2)CC1 ZINC001269633592 1184458985 /nfs/dbraw/zinc/45/89/85/1184458985.db2.gz ZQWWSUFJGJJXMX-IYBDPMFKSA-N 2 0 332.492 2.086 10 30 EEEERP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001270346006 1185035399 /nfs/dbraw/zinc/03/53/99/1185035399.db2.gz WGHGAYVBCIWUFH-ROUUACIJSA-N 2 0 333.520 2.301 10 30 EEEERP CC(C)C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001271287156 1186121962 /nfs/dbraw/zinc/12/19/62/1186121962.db2.gz ZJOFPMVNHDYYIW-WOJBJXKFSA-N 2 0 341.499 2.253 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC2CC(C)C2)C(C)C)CC1 ZINC001271939131 1186652120 /nfs/dbraw/zinc/65/21/20/1186652120.db2.gz DRTWYYJKCFZVCL-TVPLGVNVSA-N 2 0 333.520 2.108 10 30 EEEERP C=CCNCc1nc2c(s1)CCN(C(=O)C[C@H](C)n1ccnc1)C2 ZINC001691804951 1188284238 /nfs/dbraw/zinc/28/42/38/1188284238.db2.gz MABKEKGXOVPRHW-ZDUSSCGKSA-N 2 0 345.472 2.151 10 30 EEEERP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)CC[C@H]21 ZINC001272223731 1188380049 /nfs/dbraw/zinc/38/00/49/1188380049.db2.gz JABQHNZVDNCTOG-RTBURBONSA-N 2 0 333.520 2.445 10 30 EEEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001691661391 1193611477 /nfs/dbraw/zinc/61/14/77/1193611477.db2.gz RZGQNYUUNFNPLI-DLBZAZTESA-N 2 0 330.476 2.253 10 30 EEEERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001485944246 1193653927 /nfs/dbraw/zinc/65/39/27/1193653927.db2.gz LGYLRFRGIATRAX-YJBOKZPZSA-N 2 0 349.906 2.468 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCCCF)C[C@@H]2C)CC1 ZINC001486135546 1193691247 /nfs/dbraw/zinc/69/12/47/1193691247.db2.gz PZEHIJKJIVAJCP-FUHWJXTLSA-N 2 0 337.483 2.050 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001483989439 1191144547 /nfs/dbraw/zinc/14/45/47/1191144547.db2.gz JTRQRMAHSSRAMF-IBGZPJMESA-N 2 0 339.483 2.065 10 30 EEEERP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001484468136 1191372718 /nfs/dbraw/zinc/37/27/18/1191372718.db2.gz XXEYMSZYTWAZMZ-RBUKOAKNSA-N 2 0 331.504 2.341 10 30 EEEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001275690971 1205486363 /nfs/dbraw/zinc/48/63/63/1205486363.db2.gz BNEHGBCXJWUMQM-UHFFFAOYSA-N 2 0 327.432 2.141 10 30 EEEERP C#CCC[NH2+]CC1(NC(=O)Cc2cn3c(n2)CCCC3)CCCCC1 ZINC001276199594 1205829651 /nfs/dbraw/zinc/82/96/51/1205829651.db2.gz BLLFTFDANNTCAC-UHFFFAOYSA-N 2 0 342.487 2.194 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000928657697 1206408563 /nfs/dbraw/zinc/40/85/63/1206408563.db2.gz UKUHWMBXAYQQMD-UHFFFAOYSA-N 2 0 325.456 2.110 10 30 EEEERP C#CCOCC[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930861112 1206588627 /nfs/dbraw/zinc/58/86/27/1206588627.db2.gz DOZHQWWDRZGTON-HDICACEKSA-N 2 0 330.472 2.377 10 30 EEEERP CC(C)[N@@H+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001691743955 1215437604 /nfs/dbraw/zinc/43/76/04/1215437604.db2.gz GAKMXGGHDUTEOI-HXUWFJFHSA-N 2 0 341.499 2.349 10 30 EEEERP CN(C)C(=[NH+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N(C)C ZINC000305725310 1217095731 /nfs/dbraw/zinc/09/57/31/1217095731.db2.gz GKGGDRCCJAJMQB-UHFFFAOYSA-N 2 0 343.519 2.198 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000900412078 1234329935 /nfs/dbraw/zinc/32/99/35/1234329935.db2.gz PHSQZONZGQGKKR-UHFFFAOYSA-N 2 0 332.448 2.023 10 30 EEEERP C[C@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[NH+]1CCCC1 ZINC001277356651 1302618497 /nfs/dbraw/zinc/61/84/97/1302618497.db2.gz VSSONNPGDSRMAH-QGZVFWFLSA-N 2 0 345.462 2.148 10 30 EEEERP C#CCC[NH2+][C@H](CCNC(=O)c1cnn(-c2ccncc2)c1)C(C)C ZINC001277591371 1303956649 /nfs/dbraw/zinc/95/66/49/1303956649.db2.gz IXMCSWIWFAHMNO-GOSISDBHSA-N 2 0 339.443 2.025 10 30 EEEERP C#CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCC(=C)C)CC1 ZINC001278151769 1306112966 /nfs/dbraw/zinc/11/29/66/1306112966.db2.gz WZJCXYVJXUQGSW-HXUWFJFHSA-N 2 0 343.515 2.221 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001278587430 1317283372 /nfs/dbraw/zinc/28/33/72/1317283372.db2.gz ZLEICXAQPMXIGD-WOJBJXKFSA-N 2 0 341.499 2.254 10 30 EEEERP C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(-n2ccnc2)ccc1O ZINC001156672233 1318153763 /nfs/dbraw/zinc/15/37/63/1318153763.db2.gz KCMXGUJVGFBPOK-UHFFFAOYSA-N 2 0 328.416 2.158 10 30 EEEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001264126681 1322635383 /nfs/dbraw/zinc/63/53/83/1322635383.db2.gz WSOSGLJZSUYXMM-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP C[NH+](CC(=O)NCCC[N@@H+](C)Cc1cccc(C#N)c1)CC(C)(C)C ZINC001265036442 1322878422 /nfs/dbraw/zinc/87/84/22/1322878422.db2.gz DYSYERUGLPDRMI-UHFFFAOYSA-N 2 0 344.503 2.474 10 30 EEEERP CC[N@H+](C)CCC(=O)NCCC[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001265948694 1323511968 /nfs/dbraw/zinc/51/19/68/1323511968.db2.gz ZYACMTZVLYFVOI-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)CCc3ccccc3)C[C@H]2C1 ZINC001279396033 1323896302 /nfs/dbraw/zinc/89/63/02/1323896302.db2.gz QUKKBTLLRXETHP-BGYRXZFFSA-N 2 0 341.499 2.127 10 30 EEEERP C=CCC[C@@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)CCC[NH+]1CCCC1)CO2 ZINC001280979451 1324691514 /nfs/dbraw/zinc/69/15/14/1324691514.db2.gz PEUKLHPGDXZJFS-MSOLQXFVSA-N 2 0 349.519 2.177 10 30 EEEERP CCCCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001282783171 1325785715 /nfs/dbraw/zinc/78/57/15/1325785715.db2.gz XSPOFJZUWZKMQH-LJQANCHMSA-N 2 0 339.524 2.212 10 30 EEEERP C[C@H]1[C@H]([NH2+]CC#Cc2cccc(Cl)c2)CCN1C(=O)CC[NH+](C)C ZINC001283898280 1326308286 /nfs/dbraw/zinc/30/82/86/1326308286.db2.gz IILZDURFFKNPLX-MAUKXSAKSA-N 2 0 347.890 2.222 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001284737411 1326689564 /nfs/dbraw/zinc/68/95/64/1326689564.db2.gz LEZZWTIOVSLEOS-GJZGRUSLSA-N 2 0 347.425 2.417 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001492031326 1330455874 /nfs/dbraw/zinc/45/58/74/1330455874.db2.gz KHUKGBWSEIYQAH-QUCCMNQESA-N 2 0 341.499 2.397 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001316688350 1331338479 /nfs/dbraw/zinc/33/84/79/1331338479.db2.gz YEPMVGUAKNYUEL-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)s1 ZINC001316825732 1331916155 /nfs/dbraw/zinc/91/61/55/1331916155.db2.gz UTFZXPMJHLBDQO-KRWDZBQOSA-N 2 0 348.516 2.431 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCCCCC)C2)CC1 ZINC001317345611 1332188229 /nfs/dbraw/zinc/18/82/29/1332188229.db2.gz DLCKZUCRWMPUQY-SFHVURJKSA-N 2 0 333.520 2.350 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC001317670930 1332362331 /nfs/dbraw/zinc/36/23/31/1332362331.db2.gz ZHWGCPAHEHGGOF-UHFFFAOYSA-N 2 0 345.462 2.027 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001317840995 1332427691 /nfs/dbraw/zinc/42/76/91/1332427691.db2.gz YPGSIFUKURXHCH-PKOBYXMFSA-N 2 0 331.504 2.197 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317851801 1332431340 /nfs/dbraw/zinc/43/13/40/1332431340.db2.gz ASJALNOVPHNQJV-GOSISDBHSA-N 2 0 327.472 2.165 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001317994725 1332459640 /nfs/dbraw/zinc/45/96/40/1332459640.db2.gz WPKWSYJSZVRQQY-UEKDZROGSA-N 2 0 331.504 2.269 10 30 EEEERP CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001318712180 1332582300 /nfs/dbraw/zinc/58/23/00/1332582300.db2.gz DMUHDQDVNQJKHS-PZJWPPBQSA-N 2 0 341.499 2.253 10 30 EEEERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C[NH2+]CC#Cc1ccccc1 ZINC001319247606 1332670667 /nfs/dbraw/zinc/67/06/67/1332670667.db2.gz XWONVYWMLRLKHO-GOSISDBHSA-N 2 0 343.515 2.358 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001320110082 1332829004 /nfs/dbraw/zinc/82/90/04/1332829004.db2.gz FEPSAJJMYXZCQC-CVEARBPZSA-N 2 0 327.900 2.394 10 30 EEEERP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001323704594 1333520673 /nfs/dbraw/zinc/52/06/73/1333520673.db2.gz FQJRJODCUCAAKZ-MOPGFXCFSA-N 2 0 331.504 2.341 10 30 EEEERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001324261003 1333644613 /nfs/dbraw/zinc/64/46/13/1333644613.db2.gz NDQNGWHXINHZKY-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001324960928 1333797064 /nfs/dbraw/zinc/79/70/64/1333797064.db2.gz LBIHNAQDKSFRMK-UYAOXDASSA-N 2 0 333.520 2.491 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001326540538 1334111776 /nfs/dbraw/zinc/11/17/76/1334111776.db2.gz BZOIHOYBNGEJJQ-FHWLQOOXSA-N 2 0 333.520 2.396 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001327142715 1334232345 /nfs/dbraw/zinc/23/23/45/1334232345.db2.gz KDKKEZZNARISJJ-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC001332378825 1335813189 /nfs/dbraw/zinc/81/31/89/1335813189.db2.gz DPRQFBHMSIBCII-PKOBYXMFSA-N 2 0 345.531 2.491 10 30 EEEERP CC[C@H](C(=O)N1C[C@@H]([NH2+]CC#Cc2ccccc2)C(C)(C)C1)[NH+](C)C ZINC001332388808 1335815809 /nfs/dbraw/zinc/81/58/09/1335815809.db2.gz RRMGJTSZZDKHCW-RTBURBONSA-N 2 0 341.499 2.205 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)c(F)c1 ZINC001333473289 1336055334 /nfs/dbraw/zinc/05/53/34/1336055334.db2.gz MSFPTLZDQJOFKX-SFHVURJKSA-N 2 0 345.462 2.287 10 30 EEEERP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001570664314 1343098510 /nfs/dbraw/zinc/09/85/10/1343098510.db2.gz HFONWVGAGSEMCR-UHFFFAOYSA-N 2 0 341.499 2.349 10 30 EEEERP CC#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001649462171 1353518741 /nfs/dbraw/zinc/51/87/41/1353518741.db2.gz JDGPXMHPRVOWER-OALUTQOASA-N 2 0 333.520 2.302 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001666897614 1355611408 /nfs/dbraw/zinc/61/14/08/1355611408.db2.gz HBUHPIYIRYIPQO-UYAOXDASSA-N 2 0 341.499 2.347 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001666920579 1355615422 /nfs/dbraw/zinc/61/54/22/1355615422.db2.gz JWKIKFMYPRQKEL-INIZCTEOSA-N 2 0 345.462 2.098 10 30 EEEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001673617372 1356717998 /nfs/dbraw/zinc/71/79/98/1356717998.db2.gz DSQQAMJTBDXJBX-ROUUACIJSA-N 2 0 331.504 2.387 10 30 EEEERP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001674034448 1356780504 /nfs/dbraw/zinc/78/05/04/1356780504.db2.gz UNVBLUQOPDOJCQ-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001698680426 1405016867 /nfs/dbraw/zinc/01/68/67/1405016867.db2.gz YPSIADCFXVQQCI-LJQANCHMSA-N 2 0 342.487 2.228 10 30 EEEERP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001699827150 1405512609 /nfs/dbraw/zinc/51/26/09/1405512609.db2.gz VEZRBCZXNZFPFM-HXUWFJFHSA-N 2 0 345.487 2.145 10 30 EEEERP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000925782792 775764722 /nfs/dbraw/zinc/76/47/22/775764722.db2.gz MRRLHXHUPKMPPO-KRWDZBQOSA-N 2 0 348.441 2.357 10 30 EEEERP C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000847032282 790849474 /nfs/dbraw/zinc/84/94/74/790849474.db2.gz SLSNMVWZHDOIPB-NSHGMRRFSA-N 2 0 339.483 2.111 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000921959367 798387779 /nfs/dbraw/zinc/38/77/79/798387779.db2.gz WMRSZUFZNWMIBO-IBGZPJMESA-N 2 0 342.487 2.417 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000922415498 801010377 /nfs/dbraw/zinc/01/03/77/801010377.db2.gz VDFSTTVOBYGDDM-VQIMIIECSA-N 2 0 342.487 2.075 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437321079 1089482217 /nfs/dbraw/zinc/48/22/17/1089482217.db2.gz IZGNOQUESIXUCL-OALUTQOASA-N 2 0 342.487 2.415 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445572283 1091351476 /nfs/dbraw/zinc/35/14/76/1091351476.db2.gz OJXXFFNXWVZHBS-QFBILLFUSA-N 2 0 342.487 2.273 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001449023968 1094030149 /nfs/dbraw/zinc/03/01/49/1094030149.db2.gz AVXOIXMXWBOYKZ-OWCLPIDISA-N 2 0 327.900 2.297 10 30 EEEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001479688834 1098749743 /nfs/dbraw/zinc/74/97/43/1098749743.db2.gz MOVJFFCKALUJLJ-MOPGFXCFSA-N 2 0 333.520 2.491 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001480237844 1099867178 /nfs/dbraw/zinc/86/71/78/1099867178.db2.gz KTUJOLVGEMBPHF-HDICACEKSA-N 2 0 347.890 2.269 10 30 EEEERP CC(C)C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496297253 1100884102 /nfs/dbraw/zinc/88/41/02/1100884102.db2.gz UATFXEHACXJFGL-MOPGFXCFSA-N 2 0 342.487 2.130 10 30 EEEERP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001494215122 1103711620 /nfs/dbraw/zinc/71/16/20/1103711620.db2.gz XKGVIMLXWZJENL-IBGZPJMESA-N 2 0 333.520 2.301 10 30 EEEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001499352158 1112246830 /nfs/dbraw/zinc/24/68/30/1112246830.db2.gz KZLGNWSBLVFIEU-MRXNPFEDSA-N 2 0 331.863 2.190 10 30 EEEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001500546920 1112937069 /nfs/dbraw/zinc/93/70/69/1112937069.db2.gz KKPZXNCEQPHHMK-OAQYLSRUSA-N 2 0 345.531 2.350 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC[C@@H](C)F)CC1 ZINC001505465493 1114000127 /nfs/dbraw/zinc/00/01/27/1114000127.db2.gz IPZLGBJYACXMMO-SJLPKXTDSA-N 2 0 337.483 2.003 10 30 EEEERP CC#CC[NH+]1CCC(C2(NC(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001508165423 1115432644 /nfs/dbraw/zinc/43/26/44/1115432644.db2.gz IGESGSFUTKMIDC-UHFFFAOYSA-N 2 0 331.504 2.102 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001567892728 1124160933 /nfs/dbraw/zinc/16/09/33/1124160933.db2.gz LCQFJCRRSGDGMT-HZPDHXFCSA-N 2 0 339.443 2.426 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](CC[NH2+]CCC3CC3)C2)CC1 ZINC001568077367 1124282531 /nfs/dbraw/zinc/28/25/31/1124282531.db2.gz ZTEHZWHEKVPHLS-LJQANCHMSA-N 2 0 345.531 2.350 10 30 EEEERP N#Cc1cnn2cc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)cnc12 ZINC000581621795 324291637 /nfs/dbraw/zinc/29/16/37/324291637.db2.gz HFABIHMPOZJTJD-UHFFFAOYSA-N 2 0 346.438 2.487 10 30 EEEERP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(F)c(Cl)c1 ZINC000071847275 463439826 /nfs/dbraw/zinc/43/98/26/463439826.db2.gz VZYMDNMAAHDMGZ-GFCCVEGCSA-N 2 0 328.819 2.317 10 30 EEEERP Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000178299526 463875333 /nfs/dbraw/zinc/87/53/33/463875333.db2.gz FVZOYUWSHDODCW-DOTOQJQBSA-N 2 0 343.475 2.387 10 30 EEEERP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000178299513 463876252 /nfs/dbraw/zinc/87/62/52/463876252.db2.gz FVZOYUWSHDODCW-RDJZCZTQSA-N 2 0 343.475 2.387 10 30 EEEERP OCC[NH+](CC#CC[N@@H+](CCO)C1CCCCC1)C1CCCCC1 ZINC000472573819 467987937 /nfs/dbraw/zinc/98/79/37/467987937.db2.gz JKPBKXHTQMYPIL-UHFFFAOYSA-N 2 0 336.520 2.244 10 30 EEEERP CC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000594440265 468589459 /nfs/dbraw/zinc/58/94/59/468589459.db2.gz BFTHMMOPJGLPLX-MOPGFXCFSA-N 2 0 342.487 2.351 10 30 EEEERP C=CC[C@]1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662701980 472215286 /nfs/dbraw/zinc/21/52/86/472215286.db2.gz VVDRUJBKHDNFAB-PZJWPPBQSA-N 2 0 341.499 2.366 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000106034856 526600659 /nfs/dbraw/zinc/60/06/59/526600659.db2.gz HPPZCFRCUACGPP-UHFFFAOYSA-N 2 0 345.487 2.397 10 30 EEEERP C#CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000775398012 577436581 /nfs/dbraw/zinc/43/65/81/577436581.db2.gz DEKAXALMFLPBEQ-LJQANCHMSA-N 2 0 325.456 2.084 10 30 EEEERP CC[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N(C)Cc1cc(Cl)cn1C ZINC000261958546 682639345 /nfs/dbraw/zinc/63/93/45/682639345.db2.gz JLCJSPCCPLGZAX-CQSZACIVSA-N 2 0 325.888 2.170 10 30 EEEERP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000261983854 682728217 /nfs/dbraw/zinc/72/82/17/682728217.db2.gz JGWJONHAURGLLP-AWEZNQCLSA-N 2 0 332.448 2.449 10 30 EEEERP C#CCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000914336003 683505447 /nfs/dbraw/zinc/50/54/47/683505447.db2.gz WVXJHHHRQBZDOJ-QGZVFWFLSA-N 2 0 348.535 2.236 10 30 EEEERP C[NH+]=C(NCC[N@H+](C)C1CCCCC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262443712 686104187 /nfs/dbraw/zinc/10/41/87/686104187.db2.gz IFEOORJZRNFJHC-INIZCTEOSA-N 2 0 346.523 2.049 10 30 EEEERP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCO1 ZINC000262468544 686198790 /nfs/dbraw/zinc/19/87/90/686198790.db2.gz OEFIMUNCJAYLQJ-IJEWVQPXSA-N 2 0 336.505 2.166 10 30 EEEERP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CCO1 ZINC001485639001 1191866000 /nfs/dbraw/zinc/86/60/00/1191866000.db2.gz ANZRRWLRLPDRON-RDJZCZTQSA-N 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ZINC001267831139 1180599978 /nfs/dbraw/zinc/59/99/78/1180599978.db2.gz LZBFZLKPZUBHEK-IBGZPJMESA-N 2 0 333.520 2.396 10 30 EEEERP CC#CC[NH2+]C[C@](C)(NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001267858371 1180642629 /nfs/dbraw/zinc/64/26/29/1180642629.db2.gz QZTLBIYJPUAZHX-OALUTQOASA-N 2 0 337.483 2.097 10 30 EEEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001481334512 1181058553 /nfs/dbraw/zinc/05/85/53/1181058553.db2.gz YPCPACHCSDMMEJ-IEBWSBKVSA-N 2 0 333.520 2.347 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC001268236489 1182055907 /nfs/dbraw/zinc/05/59/07/1182055907.db2.gz IKBFGWWNFUTHBX-IBGZPJMESA-N 2 0 345.462 2.098 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001268372435 1182370753 /nfs/dbraw/zinc/37/07/53/1182370753.db2.gz DOVUSEFZQVGLAI-YJBOKZPZSA-N 2 0 330.476 2.129 10 30 EEEERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1cccc(C#N)c1 ZINC001481813718 1182728881 /nfs/dbraw/zinc/72/88/81/1182728881.db2.gz LZLHOWZWTWVGMO-CEXWTWQISA-N 2 0 342.487 2.273 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001481983656 1183084304 /nfs/dbraw/zinc/08/43/04/1183084304.db2.gz UVOFNNPFJDEJEU-KRWDZBQOSA-N 2 0 342.487 2.228 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268523458 1183176723 /nfs/dbraw/zinc/17/67/23/1183176723.db2.gz QOOKTZUEBNUPIT-ZMUQKWFASA-N 2 0 345.874 2.048 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001268716748 1183634877 /nfs/dbraw/zinc/63/48/77/1183634877.db2.gz KLWCPIZTOMIJCK-OXJNMPFZSA-N 2 0 339.483 2.113 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001269958732 1184744721 /nfs/dbraw/zinc/74/47/21/1184744721.db2.gz JAUOQABFXIOFTI-FXAWDEMLSA-N 2 0 341.499 2.397 10 30 EEEERP CC(C)C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482397631 1185607027 /nfs/dbraw/zinc/60/70/27/1185607027.db2.gz BVSVYYINRALYLA-VQTJNVASSA-N 2 0 341.499 2.110 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691517089 1185620229 /nfs/dbraw/zinc/62/02/29/1185620229.db2.gz BZNNTBCUZSGRBP-ZHALLVOQSA-N 2 0 331.504 2.291 10 30 EEEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001482475361 1186022502 /nfs/dbraw/zinc/02/25/02/1186022502.db2.gz ZOUGTMATAWHWHS-JKSUJKDBSA-N 2 0 339.443 2.284 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001271782721 1186480450 /nfs/dbraw/zinc/48/04/50/1186480450.db2.gz FTXDCJVGWGSZGH-CADBVGFASA-N 2 0 333.520 2.252 10 30 EEEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485825005 1193464472 /nfs/dbraw/zinc/46/44/72/1193464472.db2.gz WWTRGXXNYCIHEU-MOPGFXCFSA-N 2 0 331.504 2.243 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001482698695 1187668245 /nfs/dbraw/zinc/66/82/45/1187668245.db2.gz RPFQAXBAAPOYBM-OALUTQOASA-N 2 0 327.472 2.260 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCc2ccccc21 ZINC001483019446 1188006791 /nfs/dbraw/zinc/00/67/91/1188006791.db2.gz JUOJTQHXOGBCNC-XHHZUUQWSA-N 2 0 337.467 2.034 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001483948453 1191127743 /nfs/dbraw/zinc/12/77/43/1191127743.db2.gz VUCWYBHWDZQUHG-ZCNNSNEGSA-N 2 0 341.499 2.489 10 30 EEEERP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001483967978 1191135615 /nfs/dbraw/zinc/13/56/15/1191135615.db2.gz RGCAWLIHJQIPHO-QZTJIDSGSA-N 2 0 349.519 2.177 10 30 EEEERP C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CCC=C)CC1 ZINC001483987912 1191143711 /nfs/dbraw/zinc/14/37/11/1191143711.db2.gz IQBVGYWLTRUYNY-UHFFFAOYSA-N 2 0 331.504 2.221 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484173845 1191253482 /nfs/dbraw/zinc/25/34/82/1191253482.db2.gz IGPUKBOZIKGVSP-FQEVSTJZSA-N 2 0 333.520 2.494 10 30 EEEERP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@H]2C1 ZINC001484410736 1191338136 /nfs/dbraw/zinc/33/81/36/1191338136.db2.gz MCVSJVVQDCQRCK-QRVBRYPASA-N 2 0 333.520 2.465 10 30 EEEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001484560934 1191416143 /nfs/dbraw/zinc/41/61/43/1191416143.db2.gz JMEOSPXPHDKSTN-INIZCTEOSA-N 2 0 327.472 2.319 10 30 EEEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001484688124 1191471326 /nfs/dbraw/zinc/47/13/26/1191471326.db2.gz GRFZPFUOOFKGTG-DLBZAZTESA-N 2 0 337.508 2.033 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CCO1 ZINC001484700450 1191472162 /nfs/dbraw/zinc/47/21/62/1191472162.db2.gz MKZDXKWQBNELRX-KRWDZBQOSA-N 2 0 349.475 2.128 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485229894 1191699052 /nfs/dbraw/zinc/69/90/52/1191699052.db2.gz NMEMDEUPDAOCEN-KBPBESRZSA-N 2 0 334.439 2.020 10 30 EEEERP C=CCOCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001485453800 1191790904 /nfs/dbraw/zinc/79/09/04/1191790904.db2.gz HTAHDOPFRUTXIA-KRWDZBQOSA-N 2 0 337.508 2.082 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001486212665 1193753152 /nfs/dbraw/zinc/75/31/52/1193753152.db2.gz MUARGHCNWPTWBZ-ICSRJNTNSA-N 2 0 341.499 2.302 10 30 EEEERP CC[C@H](C(=O)NCC1([NH2+]CC#Cc2ccc(F)cc2)CCC1)[NH+](C)C ZINC001273187508 1197420521 /nfs/dbraw/zinc/42/05/21/1197420521.db2.gz WFVRSQKFAITDTL-GOSISDBHSA-N 2 0 345.462 2.146 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)C(C)(C)C ZINC001411225784 1198936371 /nfs/dbraw/zinc/93/63/71/1198936371.db2.gz RVMGDAADNIEVNY-KRWDZBQOSA-N 2 0 348.466 2.270 10 30 EEEERP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925855451 1206161497 /nfs/dbraw/zinc/16/14/97/1206161497.db2.gz PHOQEENMVJADOJ-CRAIPNDOSA-N 2 0 342.439 2.035 10 30 EEEERP Cc1cccc(NC(=[NH2+])NCc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000303793539 1213906576 /nfs/dbraw/zinc/90/65/76/1213906576.db2.gz ZNABCARPSNTPHY-UHFFFAOYSA-N 2 0 338.459 2.069 10 30 EEEERP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903726698 1241733820 /nfs/dbraw/zinc/73/38/20/1241733820.db2.gz NEOXBPMHCOOYHC-ZWKOTPCHSA-N 2 0 331.416 2.351 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCC(C)C)CC1 ZINC001264381211 1322685130 /nfs/dbraw/zinc/68/51/30/1322685130.db2.gz ZDXVEOVEXINCBI-IBGZPJMESA-N 2 0 333.520 2.301 10 30 EEEERP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001265870576 1323443504 /nfs/dbraw/zinc/44/35/04/1323443504.db2.gz SAMDWXNFNQAZKR-QGZVFWFLSA-N 2 0 345.462 2.148 10 30 EEEERP C=CCC[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCC1 ZINC001280493935 1324254682 /nfs/dbraw/zinc/25/46/82/1324254682.db2.gz ZNKYVFSOYVKHSZ-UHFFFAOYSA-N 2 0 325.416 2.086 10 30 EEEERP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001280866219 1324588103 /nfs/dbraw/zinc/58/81/03/1324588103.db2.gz VIPVZFBIABRHRG-UXHICEINSA-N 2 0 341.499 2.135 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001283145345 1325933908 /nfs/dbraw/zinc/93/39/08/1325933908.db2.gz DZFAKEIRYXYDRG-QAPCUYQASA-N 2 0 328.460 2.027 10 30 EEEERP C=C(Br)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284026650 1326368791 /nfs/dbraw/zinc/36/87/91/1326368791.db2.gz QVJFZBWYQXMFOV-UONOGXRCSA-N 2 0 346.313 2.206 10 30 EEEERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001316666812 1330169087 /nfs/dbraw/zinc/16/90/87/1330169087.db2.gz NFDVTLBQCAKVSB-VQTJNVASSA-N 2 0 339.483 2.008 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001316686893 1331331708 /nfs/dbraw/zinc/33/17/08/1331331708.db2.gz SEAFRLFOEXFBSR-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001316688349 1331338451 /nfs/dbraw/zinc/33/84/51/1331338451.db2.gz YEPMVGUAKNYUEL-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001316720485 1331835969 /nfs/dbraw/zinc/83/59/69/1331835969.db2.gz DIAGDTITTDFGGN-WOJBJXKFSA-N 2 0 341.499 2.326 10 30 EEEERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317263151 1332157556 /nfs/dbraw/zinc/15/75/56/1332157556.db2.gz DLDSCDKIIPYKOR-HNNXBMFYSA-N 2 0 347.890 2.128 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001320586427 1332915607 /nfs/dbraw/zinc/91/56/07/1332915607.db2.gz BPHLITVOWIKANS-KRWDZBQOSA-N 2 0 342.487 2.275 10 30 EEEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001325703042 1333943983 /nfs/dbraw/zinc/94/39/83/1333943983.db2.gz VRBZXSFYTQWTOW-PMACEKPBSA-N 2 0 339.483 2.255 10 30 EEEERP C=CCCC[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001327671119 1334331064 /nfs/dbraw/zinc/33/10/64/1334331064.db2.gz GYOCMDMEQOKIIV-CALCHBBNSA-N 2 0 337.508 2.080 10 30 EEEERP C=CCCC[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCOCC1 ZINC001327671120 1334331283 /nfs/dbraw/zinc/33/12/83/1334331283.db2.gz GYOCMDMEQOKIIV-IAGOWNOFSA-N 2 0 337.508 2.080 10 30 EEEERP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC001333021429 1335949310 /nfs/dbraw/zinc/94/93/10/1335949310.db2.gz OWCFVDLFKBRMKI-GJZGRUSLSA-N 2 0 347.425 2.416 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668214025 1355900726 /nfs/dbraw/zinc/90/07/26/1355900726.db2.gz HOKMSDPXIZKMHY-DLBZAZTESA-N 2 0 345.462 2.003 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001569985482 1342989051 /nfs/dbraw/zinc/98/90/51/1342989051.db2.gz RUOZSTJNRDFVFD-HNNXBMFYSA-N 2 0 333.501 2.275 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001571307478 1343176904 /nfs/dbraw/zinc/17/69/04/1343176904.db2.gz DBCUOWWCRBXSBL-CABCVRRESA-N 2 0 348.516 2.336 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCCCC)C[C@@H]2C)CC1 ZINC001676782454 1357199225 /nfs/dbraw/zinc/19/92/25/1357199225.db2.gz HGUDYGVVNKWRIZ-HKUYNNGSSA-N 2 0 333.520 2.491 10 30 EEEERP C=CC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001677376624 1357324705 /nfs/dbraw/zinc/32/47/05/1357324705.db2.gz XRXMUDOTPWZIIA-KGLIPLIRSA-N 2 0 335.414 2.273 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CC3CCC3)C2)CC1 ZINC001640213891 1352707327 /nfs/dbraw/zinc/70/73/27/1352707327.db2.gz NNAMYZHKFBIMDA-YLJYHZDGSA-N 2 0 345.531 2.206 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC2CCCC2)C2CC2)CC1 ZINC001663776968 1355030187 /nfs/dbraw/zinc/03/01/87/1355030187.db2.gz BSALOQWZADTYBG-UHFFFAOYSA-N 2 0 331.504 2.102 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)N(C)C(=O)CCC[NH+](C)C ZINC001666976786 1355626575 /nfs/dbraw/zinc/62/65/75/1355626575.db2.gz LGIMOQRNHZMGBR-INIZCTEOSA-N 2 0 349.906 2.470 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)CC[NH+]1CCCCC1 ZINC001668653028 1355980739 /nfs/dbraw/zinc/98/07/39/1355980739.db2.gz ZSKTWESOBVYDPQ-UHFFFAOYSA-N 2 0 342.487 2.372 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]Cc2cccc(C)c2)CC1 ZINC001698774275 1405053902 /nfs/dbraw/zinc/05/39/02/1405053902.db2.gz BYPRVTHRAAVUJB-GOSISDBHSA-N 2 0 341.499 2.182 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCCCC)C2)CC1 ZINC001699015487 1405229012 /nfs/dbraw/zinc/22/90/12/1405229012.db2.gz KFORWYUEXWYONC-WOJBJXKFSA-N 2 0 345.531 2.445 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C/C=C\Cl)CC1(C)C ZINC000940811188 779355215 /nfs/dbraw/zinc/35/52/15/779355215.db2.gz BSTILCZKORATKA-OCLYVHKGSA-N 2 0 337.895 2.053 10 30 EEEERP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940971844 779595246 /nfs/dbraw/zinc/59/52/46/779595246.db2.gz DPEVNCKCHVORNV-MSOLQXFVSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941074690 779793621 /nfs/dbraw/zinc/79/36/21/779793621.db2.gz FFLYLHJIQJPQGE-MSOLQXFVSA-N 2 0 333.520 2.489 10 30 EEEERP C#CCC[NH+]1CCC(NC(=O)c2cccc(CC[NH+](C)C)c2)CC1 ZINC001147844172 792000251 /nfs/dbraw/zinc/00/02/51/792000251.db2.gz XSMLPPVGNUUNJP-UHFFFAOYSA-N 2 0 327.472 2.008 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000914100583 794868004 /nfs/dbraw/zinc/86/80/04/794868004.db2.gz HLROPLWIYXCFOT-ROUUACIJSA-N 2 0 348.535 2.141 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001445660121 1091448510 /nfs/dbraw/zinc/44/85/10/1091448510.db2.gz VWLMMWYMIPUPID-KBXCAEBGSA-N 2 0 346.450 2.166 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001438846895 1091485843 /nfs/dbraw/zinc/48/58/43/1091485843.db2.gz HQBICNWOQWYNGS-MRXNPFEDSA-N 2 0 336.505 2.190 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001439328004 1092008680 /nfs/dbraw/zinc/00/86/80/1092008680.db2.gz PWUCABXQRLKPHC-RRQGHBQHSA-N 2 0 348.516 2.287 10 30 EEEERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001440796688 1094038645 /nfs/dbraw/zinc/03/86/45/1094038645.db2.gz KZCPZVOOYMYEPA-CHWSQXEVSA-N 2 0 334.489 2.087 10 30 EEEERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC001441925024 1096110148 /nfs/dbraw/zinc/11/01/48/1096110148.db2.gz AWTQEVQSSIKOKC-MRXNPFEDSA-N 2 0 348.516 2.288 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001496902535 1101693912 /nfs/dbraw/zinc/69/39/12/1101693912.db2.gz FHAWSJHEWZIXMK-WOJBJXKFSA-N 2 0 341.499 2.302 10 30 EEEERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001494984684 1104629463 /nfs/dbraw/zinc/62/94/63/1104629463.db2.gz JYBNTQBZVBKDJI-MOPGFXCFSA-N 2 0 342.487 2.415 10 30 EEEERP CN(CCC[NH2+]CC#Cc1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001498656890 1107908363 /nfs/dbraw/zinc/90/83/63/1107908363.db2.gz DMIWXMOCVNMVCO-UHFFFAOYSA-N 2 0 341.499 2.352 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001493599678 1108382798 /nfs/dbraw/zinc/38/27/98/1108382798.db2.gz GMKRUFJCVZHSTJ-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001493851559 1108737700 /nfs/dbraw/zinc/73/77/00/1108737700.db2.gz VONLDIXPDHMTHT-HKUYNNGSSA-N 2 0 333.520 2.347 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1CC[NH+](CC=C)CC1 ZINC001500054020 1112594973 /nfs/dbraw/zinc/59/49/73/1112594973.db2.gz HVNRRNMVFLVHAP-UHFFFAOYSA-N 2 0 331.504 2.219 10 30 EEEERP C#CCN(C(=O)CCc1cncn1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001500057997 1112596288 /nfs/dbraw/zinc/59/62/88/1112596288.db2.gz RZPIRJFBUOWDOD-QGZVFWFLSA-N 2 0 344.503 2.325 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001502058644 1113572742 /nfs/dbraw/zinc/57/27/42/1113572742.db2.gz VZWQBUSQMVREPY-RTBURBONSA-N 2 0 349.519 2.177 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001502406770 1113671690 /nfs/dbraw/zinc/67/16/90/1113671690.db2.gz SDYRJVAGMCFMMW-OALUTQOASA-N 2 0 333.520 2.445 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001502805319 1113805712 /nfs/dbraw/zinc/80/57/12/1113805712.db2.gz CMUYTAJSKMUQNB-UHFFFAOYSA-N 2 0 348.516 2.432 10 30 EEEERP C#CC[NH2+]C1(C)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001502810975 1113808166 /nfs/dbraw/zinc/80/81/66/1113808166.db2.gz KGUJZYOUMHDYBA-UHFFFAOYSA-N 2 0 331.460 2.339 10 30 EEEERP C[NH+](C)CCCC(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001505515192 1114031893 /nfs/dbraw/zinc/03/18/93/1114031893.db2.gz NJMLURSZHUDAFE-UHFFFAOYSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)CC1CC[NH+](C)CC1 ZINC001506971872 1115022428 /nfs/dbraw/zinc/02/24/28/1115022428.db2.gz QBKHNHMYXWVJEK-UHFFFAOYSA-N 2 0 341.499 2.360 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C(F)(F)F ZINC001507456151 1115280297 /nfs/dbraw/zinc/28/02/97/1115280297.db2.gz GXMAODMZEPXLLG-KBPBESRZSA-N 2 0 335.414 2.131 10 30 EEEERP C#CCC[NH2+]C1CC(N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001508156265 1115429791 /nfs/dbraw/zinc/42/97/91/1115429791.db2.gz DGTLUDINCKDURH-UHFFFAOYSA-N 2 0 331.460 2.337 10 30 EEEERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001568299931 1124410452 /nfs/dbraw/zinc/41/04/52/1124410452.db2.gz HBHVBOWAMPNSEW-YJBOKZPZSA-N 2 0 349.906 2.468 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001568741886 1124755247 /nfs/dbraw/zinc/75/52/47/1124755247.db2.gz IEROAXXMGFSPKW-IBGZPJMESA-N 2 0 342.487 2.369 10 30 EEEERP COc1cc(C#N)ccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179659045 533494942 /nfs/dbraw/zinc/49/49/42/533494942.db2.gz YOWCMPTZMYYGGH-HNNXBMFYSA-N 2 0 331.460 2.091 10 30 EEEERP CCOC[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](COCC)C2)C1 ZINC000341882808 465272392 /nfs/dbraw/zinc/27/23/92/465272392.db2.gz MWVSKJQFHBEIJQ-PMACEKPBSA-N 2 0 336.520 2.487 10 30 EEEERP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(F)c(Cl)c1 ZINC000071847276 463439921 /nfs/dbraw/zinc/43/99/21/463439921.db2.gz VZYMDNMAAHDMGZ-LBPRGKRZSA-N 2 0 328.819 2.317 10 30 EEEERP C[C@@H]1C[C@@H](N(C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C ZINC000192612233 464957906 /nfs/dbraw/zinc/95/79/06/464957906.db2.gz RGPNHZCHSWCDCZ-AYOQOUSVSA-N 2 0 340.471 2.468 10 30 EEEERP C[NH+](C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594438994 468588167 /nfs/dbraw/zinc/58/81/67/468588167.db2.gz XZYSTHVJNNIKOY-JKSUJKDBSA-N 2 0 336.867 2.470 10 30 EEEERP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)CC1 ZINC000595635500 468933099 /nfs/dbraw/zinc/93/30/99/468933099.db2.gz LCVYFAKTKBGDFH-UHFFFAOYSA-N 2 0 342.487 2.372 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602574571 469367135 /nfs/dbraw/zinc/36/71/35/469367135.db2.gz BNTQLUAGQDRSEG-ROUUACIJSA-N 2 0 328.460 2.036 10 30 EEEERP C=CC[C@]1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662744986 472231224 /nfs/dbraw/zinc/23/12/24/472231224.db2.gz CJECCBZAZSCHTD-AZUAARDMSA-N 2 0 327.472 2.418 10 30 EEEERP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)Cc1ccccc1 ZINC000066242214 681444416 /nfs/dbraw/zinc/44/44/16/681444416.db2.gz GFVQAJWMTCEVBJ-ROUUACIJSA-N 2 0 332.492 2.023 10 30 EEEERP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000896520697 685011380 /nfs/dbraw/zinc/01/13/80/685011380.db2.gz MKIRIGZHFZSUNF-PMACEKPBSA-N 2 0 339.483 2.283 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001485702789 1191905955 /nfs/dbraw/zinc/90/59/55/1191905955.db2.gz BYLDUMMWBKLQAK-JCNLHEQBSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001266550857 1176818836 /nfs/dbraw/zinc/81/88/36/1176818836.db2.gz FKEIAEYERMMSLL-XFHJGTJQSA-N 2 0 331.504 2.126 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266879556 1177692304 /nfs/dbraw/zinc/69/23/04/1177692304.db2.gz BLSPOMVVNFMHHD-LJQANCHMSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH2+]CC2CC2)CC1 ZINC001691309443 1177880776 /nfs/dbraw/zinc/88/07/76/1177880776.db2.gz QJPROZOMYCEDGU-XLIONFOSSA-N 2 0 345.531 2.348 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001267372344 1178877576 /nfs/dbraw/zinc/87/75/76/1178877576.db2.gz MQAJCFWUBKTKFO-SFHVURJKSA-N 2 0 346.450 2.118 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001481252489 1180476729 /nfs/dbraw/zinc/47/67/29/1180476729.db2.gz WYUIDQMOMQWZAI-KRWDZBQOSA-N 2 0 348.516 2.288 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001269621561 1184446383 /nfs/dbraw/zinc/44/63/83/1184446383.db2.gz GKBCEGVAWPIDAB-LJQANCHMSA-N 2 0 331.504 2.197 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001270051542 1184814453 /nfs/dbraw/zinc/81/44/53/1184814453.db2.gz YARZLBPEOSQNAK-MJGOQNOKSA-N 2 0 331.504 2.245 10 30 EEEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001271334221 1186144309 /nfs/dbraw/zinc/14/43/09/1186144309.db2.gz GVRHMHOUEHNYIK-RBUKOAKNSA-N 2 0 331.504 2.006 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001271436764 1186220635 /nfs/dbraw/zinc/22/06/35/1186220635.db2.gz NYUMOGVKBMUVSY-LPHOPBHVSA-N 2 0 327.472 2.212 10 30 EEEERP C=C(C[NH+](C)C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001142639047 1188612751 /nfs/dbraw/zinc/61/27/51/1188612751.db2.gz QTFNJWAHEHDYEX-UHFFFAOYSA-N 2 0 333.501 2.334 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483142140 1188731970 /nfs/dbraw/zinc/73/19/70/1188731970.db2.gz XEJQBOFHCKMMNA-GOSISDBHSA-N 2 0 339.483 2.008 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1ccccc1C#N ZINC001409568314 1190048254 /nfs/dbraw/zinc/04/82/54/1190048254.db2.gz JRSWIRORQFQWMQ-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001483299123 1190321506 /nfs/dbraw/zinc/32/15/06/1190321506.db2.gz UARLCXOGSOMBFG-WMLDXEAASA-N 2 0 348.516 2.334 10 30 EEEERP C#CCN(C(=O)c1ccc2c[nH+]cn2c1C)C1CC[NH+](CC#CC)CC1 ZINC001483984322 1191142196 /nfs/dbraw/zinc/14/21/96/1191142196.db2.gz WJZDJXYCBJQIQX-UHFFFAOYSA-N 2 0 348.450 2.206 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485183135 1191679920 /nfs/dbraw/zinc/67/99/20/1191679920.db2.gz ZPEHBVQPEWTVGS-KGLIPLIRSA-N 2 0 348.516 2.477 10 30 EEEERP C=CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)c(F)c1 ZINC001486525563 1194048222 /nfs/dbraw/zinc/04/82/22/1194048222.db2.gz OTRRXGSJAOIWHS-UHFFFAOYSA-N 2 0 333.451 2.449 10 30 EEEERP C=CC[NH2+]CC1(NC(=O)CC[N@@H+](C)C2CCCCC2)CCOCC1 ZINC001273987452 1202240590 /nfs/dbraw/zinc/24/05/90/1202240590.db2.gz LYNTYZNQUQXTKP-UHFFFAOYSA-N 2 0 337.508 2.082 10 30 EEEERP CC[C@H](C(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001274507007 1205061318 /nfs/dbraw/zinc/06/13/18/1205061318.db2.gz BYAJTFAQLZMIMD-LKGOPFMKSA-N 2 0 347.890 2.294 10 30 EEEERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001275459636 1205370748 /nfs/dbraw/zinc/37/07/48/1205370748.db2.gz HXPLOXAZRIMPEQ-ROUUACIJSA-N 2 0 341.499 2.395 10 30 EEEERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)cc1F ZINC000925860036 1206162494 /nfs/dbraw/zinc/16/24/94/1206162494.db2.gz YVIBYUWQOBRDHC-TZMCWYRMSA-N 2 0 331.391 2.033 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001273765168 1285132622 /nfs/dbraw/zinc/13/26/22/1285132622.db2.gz LWJMMLMNWBZOOO-RTBURBONSA-N 2 0 341.499 2.349 10 30 EEEERP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001489347544 1290530358 /nfs/dbraw/zinc/53/03/58/1290530358.db2.gz AJOIFTRYFHXSQK-SJORKVTESA-N 2 0 339.524 2.136 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3cncn3C)C[C@@]2(C)C1 ZINC001276906072 1300201049 /nfs/dbraw/zinc/20/10/49/1300201049.db2.gz KJJHBVZDMCLVQK-FFZOFVMBSA-N 2 0 344.503 2.488 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001276404346 1315057905 /nfs/dbraw/zinc/05/79/05/1315057905.db2.gz IEMDGXWJNGLHIN-QGZVFWFLSA-N 2 0 348.516 2.432 10 30 EEEERP C=CC[C@@]1(C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)CCC[NH2+]1 ZINC001263237405 1322447131 /nfs/dbraw/zinc/44/71/31/1322447131.db2.gz KSWJUEZGRNPZOQ-FQEVSTJZSA-N 2 0 327.472 2.204 10 30 EEEERP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001264120714 1322633519 /nfs/dbraw/zinc/63/35/19/1322633519.db2.gz PQZWYQHVKKNVKG-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266146119 1323716398 /nfs/dbraw/zinc/71/63/98/1323716398.db2.gz JDCMWIPRAGKIBC-FRQCXROJSA-N 2 0 345.462 2.002 10 30 EEEERP C#CC[NH+]1CCC(C2(NC(=O)CCCC[NH+]3CCCC3)CC2)CC1 ZINC001279368195 1323888634 /nfs/dbraw/zinc/88/86/34/1323888634.db2.gz JLBXEHNNSGLJEG-UHFFFAOYSA-N 2 0 331.504 2.247 10 30 EEEERP CC#CC[NH2+][C@H](CCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001282559671 1325741387 /nfs/dbraw/zinc/74/13/87/1325741387.db2.gz YRPLIIPQIFWLEV-GOSISDBHSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCC[N@H+]1CC=C(CNC(=O)CN(C)Cc2ccccc2)CC1 ZINC001284993947 1326817108 /nfs/dbraw/zinc/81/71/08/1326817108.db2.gz AICKEZYNJMXICL-UHFFFAOYSA-N 2 0 327.472 2.443 10 30 EEEERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001492128391 1330981774 /nfs/dbraw/zinc/98/17/74/1330981774.db2.gz RXTVCOGDNWVYJA-DOTOQJQBSA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001317701917 1332379300 /nfs/dbraw/zinc/37/93/00/1332379300.db2.gz KQPPEXQRYYVKLP-UXHICEINSA-N 2 0 341.499 2.182 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC(C)C)[C@@H](C)C2)CC1 ZINC001319710854 1332747904 /nfs/dbraw/zinc/74/79/04/1332747904.db2.gz NGLKGFAJQVVIPZ-HKUYNNGSSA-N 2 0 333.520 2.204 10 30 EEEERP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320550507 1332908333 /nfs/dbraw/zinc/90/83/33/1332908333.db2.gz XOJFSNFHMOYPES-LSDHHAIUSA-N 2 0 346.450 2.024 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001320645158 1332928152 /nfs/dbraw/zinc/92/81/52/1332928152.db2.gz PSXBGMWJWICFCG-IBGZPJMESA-N 2 0 341.499 2.399 10 30 EEEERP C=C(C)C[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCOCC1 ZINC001327670146 1334330808 /nfs/dbraw/zinc/33/08/08/1334330808.db2.gz QNSYFTZIUPYPNU-UHFFFAOYSA-N 2 0 345.487 2.193 10 30 EEEERP C=C(Br)C[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001672853857 1356599879 /nfs/dbraw/zinc/59/98/79/1356599879.db2.gz TZQITBWCJSPSCA-AWEZNQCLSA-N 2 0 346.313 2.065 10 30 EEEERP C[C@@H](CCNC(=O)CCC[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1 ZINC001567240670 1342715283 /nfs/dbraw/zinc/71/52/83/1342715283.db2.gz NKPNOZBPENWDJV-IBGZPJMESA-N 2 0 341.499 2.399 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001567240767 1342715401 /nfs/dbraw/zinc/71/54/01/1342715401.db2.gz PJBHRSBUCDGCMI-QGZVFWFLSA-N 2 0 333.520 2.396 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CCCF)CC1 ZINC001569588300 1342904212 /nfs/dbraw/zinc/90/42/12/1342904212.db2.gz CRTDDLWPBUFTLG-MJGOQNOKSA-N 2 0 349.494 2.289 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001569809879 1342949641 /nfs/dbraw/zinc/94/96/41/1342949641.db2.gz DSFXZVFGFFSLDR-CABCVRRESA-N 2 0 333.501 2.273 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CC(C)C1 ZINC001570676483 1343100610 /nfs/dbraw/zinc/10/06/10/1343100610.db2.gz AQUCOLKKWYMOLE-ABHNRTSZSA-N 2 0 333.520 2.204 10 30 EEEERP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001571564710 1343239191 /nfs/dbraw/zinc/23/91/91/1343239191.db2.gz JMAQHTHAFFOGAK-GOSISDBHSA-N 2 0 327.472 2.212 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CCC)c(F)c1 ZINC001677643255 1357381723 /nfs/dbraw/zinc/38/17/23/1357381723.db2.gz MMKZICFQHGWBOC-SFHVURJKSA-N 2 0 331.435 2.039 10 30 EEEERP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[C@@H]3[NH3+])CC2)c1 ZINC001645909119 1352808757 /nfs/dbraw/zinc/80/87/57/1352808757.db2.gz IVRLGWCUZVJDDF-OALUTQOASA-N 2 0 340.471 2.156 10 30 EEEERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001649439813 1353506352 /nfs/dbraw/zinc/50/63/52/1353506352.db2.gz HZWQZRABNIOSFJ-MRXNPFEDSA-N 2 0 347.890 2.081 10 30 EEEERP C=CCOc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1OC ZINC001657364771 1354337526 /nfs/dbraw/zinc/33/75/26/1354337526.db2.gz NPYRDVXRTABXCV-UHFFFAOYSA-N 2 0 347.503 2.376 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001669482466 1356165464 /nfs/dbraw/zinc/16/54/64/1356165464.db2.gz MOMPQLPLUNRTLD-OAHLLOKOSA-N 2 0 335.879 2.126 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC#Cc2ccccc2)C1 ZINC001671805068 1356417942 /nfs/dbraw/zinc/41/79/42/1356417942.db2.gz LJNAUYBNHKUDMS-NRFANRHFSA-N 2 0 341.499 2.208 10 30 EEEERP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001698739197 1405038775 /nfs/dbraw/zinc/03/87/75/1405038775.db2.gz RIRHYTBRWREETR-UHFFFAOYSA-N 2 0 331.504 2.200 10 30 EEEERP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001437011685 1088791432 /nfs/dbraw/zinc/79/14/32/1088791432.db2.gz RGCSYXBTCGQQDK-RBUKOAKNSA-N 2 0 342.487 2.227 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001437163589 1089177436 /nfs/dbraw/zinc/17/74/36/1089177436.db2.gz NAXYLGCVDPDIGU-UONOGXRCSA-N 2 0 346.313 2.110 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001438753924 1091315094 /nfs/dbraw/zinc/31/50/94/1091315094.db2.gz MZIJUOOGFQJJSE-MRXNPFEDSA-N 2 0 327.900 2.489 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001446185503 1092260490 /nfs/dbraw/zinc/26/04/90/1092260490.db2.gz WLMJFCZBZAWHFR-GOSISDBHSA-N 2 0 340.471 2.171 10 30 EEEERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001440817529 1094070925 /nfs/dbraw/zinc/07/09/25/1094070925.db2.gz KJNWFQGKPMQNQY-ZIAGYGMSSA-N 2 0 334.439 2.022 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001440843241 1094100073 /nfs/dbraw/zinc/10/00/73/1094100073.db2.gz YGTOBZKLMKOHNP-SJORKVTESA-N 2 0 342.487 2.273 10 30 EEEERP C=C(Cl)C[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001441341571 1094837645 /nfs/dbraw/zinc/83/76/45/1094837645.db2.gz PTWDPCLZRYWBKA-JYJNAYRXSA-N 2 0 327.900 2.297 10 30 EEEERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001441877996 1095999780 /nfs/dbraw/zinc/99/97/80/1095999780.db2.gz RONWNSHMKUYVCN-ICSRJNTNSA-N 2 0 340.471 2.123 10 30 EEEERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001479489886 1098562514 /nfs/dbraw/zinc/56/25/14/1098562514.db2.gz VOQHWTYCGGWNFY-RBUKOAKNSA-N 2 0 342.487 2.275 10 30 EEEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001479688838 1098749229 /nfs/dbraw/zinc/74/92/29/1098749229.db2.gz MOVJFFCKALUJLJ-RBUKOAKNSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444328728 1098893133 /nfs/dbraw/zinc/89/31/33/1098893133.db2.gz PIYKCQIJKQIJPM-QFBILLFUSA-N 2 0 342.487 2.275 10 30 EEEERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]Cc1ccccc1C#N ZINC001495719834 1101482859 /nfs/dbraw/zinc/48/28/59/1101482859.db2.gz NIXKUXZQRYUEOD-MRXNPFEDSA-N 2 0 342.487 2.275 10 30 EEEERP C=CCOCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCC1 ZINC001495925354 1101771594 /nfs/dbraw/zinc/77/15/94/1101771594.db2.gz NIWNPYGATOGBAA-UHFFFAOYSA-N 2 0 349.519 2.084 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001496081011 1102023485 /nfs/dbraw/zinc/02/34/85/1102023485.db2.gz KHZUKUPQFXZDHI-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001447903314 1103559675 /nfs/dbraw/zinc/55/96/75/1103559675.db2.gz DMGMOISAAFEWPN-KBPBESRZSA-N 2 0 334.439 2.022 10 30 EEEERP C[NH+](C)CCCC(=O)N1CC[C@H](C[N@H+](C)CC#Cc2ccccc2)C1 ZINC001494154964 1103614248 /nfs/dbraw/zinc/61/42/48/1103614248.db2.gz AEFFBVNQHFGIRV-HXUWFJFHSA-N 2 0 341.499 2.160 10 30 EEEERP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001500018898 1112581053 /nfs/dbraw/zinc/58/10/53/1112581053.db2.gz QZXXUKNCWGLXPK-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001501153692 1113217178 /nfs/dbraw/zinc/21/71/78/1113217178.db2.gz UCJHWVZMCWNXBP-AZUAARDMSA-N 2 0 347.547 2.452 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2cccc(F)c2)CC1 ZINC001505760014 1114173934 /nfs/dbraw/zinc/17/39/34/1114173934.db2.gz FFZZXKXDQRCOAK-CVEARBPZSA-N 2 0 345.462 2.154 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001506938059 1114987896 /nfs/dbraw/zinc/98/78/96/1114987896.db2.gz JXKKVSCYIOOTDR-IAGOWNOFSA-N 2 0 342.487 2.275 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001507161792 1115141930 /nfs/dbraw/zinc/14/19/30/1115141930.db2.gz MPMAEZRLBXVTIT-ZIAGYGMSSA-N 2 0 346.313 2.206 10 30 EEEERP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001507346609 1115209556 /nfs/dbraw/zinc/20/95/56/1115209556.db2.gz UXKZDKOHSOLEHX-LZLYRXPVSA-N 2 0 325.472 2.356 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507407871 1115254806 /nfs/dbraw/zinc/25/48/06/1115254806.db2.gz DGFRYLQMQJDCDJ-ROUUACIJSA-N 2 0 333.520 2.396 10 30 EEEERP C#CC[NH+]1CCC(CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001568130287 1124319545 /nfs/dbraw/zinc/31/95/45/1124319545.db2.gz QZDQNBGKVZPGKU-LJQANCHMSA-N 2 0 337.483 2.050 10 30 EEEERP C[C@@]1(CCCO)CCC[NH+]1CC#CC[N@H+]1CCC[C@@]1(C)CCCO ZINC000341908479 465273113 /nfs/dbraw/zinc/27/31/13/465273113.db2.gz DOPLFDNFLZKFQY-PMACEKPBSA-N 2 0 336.520 2.244 10 30 EEEERP CCC[C@@]1(CO)CCC[NH+]1CC#CC[N@H+]1CCC[C@]1(CO)CCC ZINC000515470375 467993679 /nfs/dbraw/zinc/99/36/79/467993679.db2.gz SMNCNQWTMLCCMX-PMACEKPBSA-N 2 0 336.520 2.244 10 30 EEEERP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594438511 468587067 /nfs/dbraw/zinc/58/70/67/468587067.db2.gz JHQQLCLJQPYFNF-JKSUJKDBSA-N 2 0 336.867 2.470 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N(CC)[C@H]1CC[N@H+](C)C1)C(C)C ZINC000663669287 471466365 /nfs/dbraw/zinc/46/63/65/471466365.db2.gz WFFLKXBIBFNMEC-ZWKOTPCHSA-N 2 0 336.524 2.421 10 30 EEEERP C=CC[C@]1(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662748420 472234333 /nfs/dbraw/zinc/23/43/33/472234333.db2.gz TVORXXXJYANYRX-IMFGXOCKSA-N 2 0 327.472 2.464 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485715387 1191906287 /nfs/dbraw/zinc/90/62/87/1191906287.db2.gz YKSNDLITNWAQFW-MAUKXSAKSA-N 2 0 328.460 2.027 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CC#Cc2ccccc2)C1 ZINC001266466492 1176588621 /nfs/dbraw/zinc/58/86/21/1176588621.db2.gz PPJAWZVTEXENBS-HXUWFJFHSA-N 2 0 341.499 2.160 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001266993822 1178052113 /nfs/dbraw/zinc/05/21/13/1178052113.db2.gz GCKQZBLZSOEFDR-OAHLLOKOSA-N 2 0 335.879 2.126 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001267088563 1178214059 /nfs/dbraw/zinc/21/40/59/1178214059.db2.gz MNNZYUUBNXTFLJ-MOPGFXCFSA-N 2 0 327.472 2.402 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001267370479 1178872025 /nfs/dbraw/zinc/87/20/25/1178872025.db2.gz QNLFVOKRLKMSMF-SFHVURJKSA-N 2 0 329.488 2.435 10 30 EEEERP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001481120044 1179799685 /nfs/dbraw/zinc/79/96/85/1179799685.db2.gz WEMOEXRKRMLAIB-IEBWSBKVSA-N 2 0 327.472 2.141 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC/C=C\CCC)C1 ZINC001481526484 1181646949 /nfs/dbraw/zinc/64/69/49/1181646949.db2.gz GIDXJQWASDUOBM-MGBKSAOESA-N 2 0 331.504 2.411 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001268214883 1182023989 /nfs/dbraw/zinc/02/39/89/1182023989.db2.gz XNAXMABNTCHUOX-PKOBYXMFSA-N 2 0 333.520 2.395 10 30 EEEERP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001268764729 1183680155 /nfs/dbraw/zinc/68/01/55/1183680155.db2.gz HSQZGGRXLQDJGG-GDBMZVCRSA-N 2 0 333.501 2.321 10 30 EEEERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001269510931 1184334018 /nfs/dbraw/zinc/33/40/18/1184334018.db2.gz SYYKWDMTQIOORF-SJORKVTESA-N 2 0 347.890 2.128 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](CCC=C)CC1 ZINC001270338845 1185030547 /nfs/dbraw/zinc/03/05/47/1185030547.db2.gz TWDUNBZXIFCYPM-ROUUACIJSA-N 2 0 331.504 2.219 10 30 EEEERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001270371238 1185053581 /nfs/dbraw/zinc/05/35/81/1185053581.db2.gz FMMLQJWRRDRZNM-YJBOKZPZSA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC/C=C\CC)C2)CC1 ZINC001691541497 1187945109 /nfs/dbraw/zinc/94/51/09/1187945109.db2.gz YTYCDYALGMDLIM-SGEUTHJCSA-N 2 0 331.504 2.172 10 30 EEEERP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001691556990 1188261905 /nfs/dbraw/zinc/26/19/05/1188261905.db2.gz OCVSCXCVZFTDPB-RBUKOAKNSA-N 2 0 329.488 2.489 10 30 EEEERP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001691559701 1188262624 /nfs/dbraw/zinc/26/26/24/1188262624.db2.gz QEHQSVRGVBRVHD-RBUKOAKNSA-N 2 0 329.488 2.487 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCCC)[C@H]2C)CC1 ZINC001486097766 1193680225 /nfs/dbraw/zinc/68/02/25/1193680225.db2.gz YBOGCXCHTQFHKM-IEBWSBKVSA-N 2 0 333.520 2.491 10 30 EEEERP CN(CCC[NH2+]Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483475919 1190497522 /nfs/dbraw/zinc/49/75/22/1190497522.db2.gz ZHXJVOOVPCHQKU-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001483587538 1190573751 /nfs/dbraw/zinc/57/37/51/1190573751.db2.gz HPEBZBCOUXEBKS-CRAIPNDOSA-N 2 0 325.472 2.259 10 30 EEEERP C#CCN(C(=O)CCc1c[nH]cn1)C1CC[NH+](CCCCC)CC1 ZINC001483985216 1191142403 /nfs/dbraw/zinc/14/24/03/1191142403.db2.gz OPQAHABOOYRIFL-UHFFFAOYSA-N 2 0 330.476 2.459 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC(C)C)C2CCCC2)CC1 ZINC001484013861 1191155935 /nfs/dbraw/zinc/15/59/35/1191155935.db2.gz FDNQMRZTNZSWKD-LJQANCHMSA-N 2 0 333.520 2.252 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CC=C(C)C)C2)CC1 ZINC001484126513 1191224025 /nfs/dbraw/zinc/22/40/25/1191224025.db2.gz WKDQGMIBVQFITR-HXUWFJFHSA-N 2 0 331.504 2.126 10 30 EEEERP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001484340587 1191311102 /nfs/dbraw/zinc/31/11/02/1191311102.db2.gz AIWVGSHUTNOBCC-SJLPKXTDSA-N 2 0 329.488 2.417 10 30 EEEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001485031678 1191622097 /nfs/dbraw/zinc/62/20/97/1191622097.db2.gz DGIDJYUQHRLAHP-HKUYNNGSSA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001485228579 1191698392 /nfs/dbraw/zinc/69/83/92/1191698392.db2.gz DLXVQXPLSFMLHL-IRXDYDNUSA-N 2 0 327.472 2.015 10 30 EEEERP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001486189336 1193731294 /nfs/dbraw/zinc/73/12/94/1193731294.db2.gz SZNOGQDMORXVCP-MISYRCLQSA-N 2 0 341.499 2.057 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001486212666 1193752641 /nfs/dbraw/zinc/75/26/41/1193752641.db2.gz MUARGHCNWPTWBZ-QUCCMNQESA-N 2 0 341.499 2.302 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000875246613 1199186533 /nfs/dbraw/zinc/18/65/33/1199186533.db2.gz DFNDBRXFEQXMCZ-UHFFFAOYSA-N 2 0 334.508 2.154 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000876741061 1199750675 /nfs/dbraw/zinc/75/06/75/1199750675.db2.gz PIWIFTDXGQMMQD-CVEARBPZSA-N 2 0 327.900 2.427 10 30 EEEERP C[NH+](C)CC[C@@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C(C)(C)C ZINC000867962360 1201716030 /nfs/dbraw/zinc/71/60/30/1201716030.db2.gz OZHZSDPYGSPRQY-QZTJIDSGSA-N 2 0 342.487 2.228 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]Cc2cccc(C)c2)CC1 ZINC001274609415 1205096550 /nfs/dbraw/zinc/09/65/50/1205096550.db2.gz KTOZXJOXYAACGG-SNAWJCMRSA-N 2 0 339.483 2.102 10 30 EEEERP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001446018652 1205511394 /nfs/dbraw/zinc/51/13/94/1205511394.db2.gz USAPOGWDNWMKNP-KGLIPLIRSA-N 2 0 346.313 2.063 10 30 EEEERP Cc1cccc(NC(=[NH2+])NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000303894926 1213922846 /nfs/dbraw/zinc/92/28/46/1213922846.db2.gz PFNDQTVEODKXPK-LJQANCHMSA-N 2 0 338.455 2.141 10 30 EEEERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001490954843 1258506497 /nfs/dbraw/zinc/50/64/97/1258506497.db2.gz LBERGZMOPHWLNX-QAQDUYKDSA-N 2 0 345.874 2.024 10 30 EEEERP C=C(C)[C@H](CO)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604057 1293580019 /nfs/dbraw/zinc/58/00/19/1293580019.db2.gz SIULHSHUWAFFOU-MOPGFXCFSA-N 2 0 333.476 2.312 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001160747764 1320256795 /nfs/dbraw/zinc/25/67/95/1320256795.db2.gz VNLAOKQTMFCGHB-MRXNPFEDSA-N 2 0 328.460 2.065 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)c2ccc([C@@H]3CCCC[NH2+]3)n2C)CC1 ZINC001263100674 1322433995 /nfs/dbraw/zinc/43/39/95/1322433995.db2.gz UPGJMBPRVZRXKT-INIZCTEOSA-N 2 0 330.476 2.220 10 30 EEEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001264127876 1322636130 /nfs/dbraw/zinc/63/61/30/1322636130.db2.gz NEBRWAUHHSKNCC-OALUTQOASA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001265336008 1323083433 /nfs/dbraw/zinc/08/34/33/1323083433.db2.gz NNAWMXJQDCGOFY-ZWKOTPCHSA-N 2 0 331.504 2.101 10 30 EEEERP C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001265798766 1323386464 /nfs/dbraw/zinc/38/64/64/1323386464.db2.gz KINUPNWXMSZOIH-HUUCEWRRSA-N 2 0 327.432 2.330 10 30 EEEERP C=C(C)CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001266088304 1323645783 /nfs/dbraw/zinc/64/57/83/1323645783.db2.gz SQQYLVWUXFMVKJ-IBGZPJMESA-N 2 0 329.488 2.353 10 30 EEEERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001266172626 1323741075 /nfs/dbraw/zinc/74/10/75/1323741075.db2.gz KUNDWFFLGQHYHU-OAHLLOKOSA-N 2 0 335.879 2.128 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCF)cc1 ZINC001280350437 1324165773 /nfs/dbraw/zinc/16/57/73/1324165773.db2.gz JKMPIKVRJRBMNC-LPHOPBHVSA-N 2 0 345.462 2.411 10 30 EEEERP C=CCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)O2 ZINC001280929262 1324646605 /nfs/dbraw/zinc/64/66/05/1324646605.db2.gz CSMIQKYDOUOEKT-ROUUACIJSA-N 2 0 349.519 2.175 10 30 EEEERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001281748243 1325434554 /nfs/dbraw/zinc/43/45/54/1325434554.db2.gz VAORLCIMWMCBHI-SJORKVTESA-N 2 0 345.462 2.003 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001283723973 1326220212 /nfs/dbraw/zinc/22/02/12/1326220212.db2.gz RDQMTTKDFVWHGF-MRXNPFEDSA-N 2 0 349.906 2.468 10 30 EEEERP C=CCOCC[N@H+]1CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001284977701 1326806699 /nfs/dbraw/zinc/80/66/99/1326806699.db2.gz KBVSJJDLXSPACF-UHFFFAOYSA-N 2 0 349.519 2.058 10 30 EEEERP C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316721525 1331862020 /nfs/dbraw/zinc/86/20/20/1331862020.db2.gz MCYBTCNXLJQJAJ-RTBURBONSA-N 2 0 345.462 2.075 10 30 EEEERP CC[C@@H](C(=O)NCCC[N@H+](C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001316850741 1331933914 /nfs/dbraw/zinc/93/39/14/1331933914.db2.gz IKPVHNXNBGHPDH-SFHVURJKSA-N 2 0 349.906 2.470 10 30 EEEERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cccc(C#N)c1 ZINC001316908260 1331974492 /nfs/dbraw/zinc/97/44/92/1331974492.db2.gz XZXGTZGGWHZLJK-IBGZPJMESA-N 2 0 342.487 2.228 10 30 EEEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)c1cc(CN2CCCC2)on1 ZINC001317192578 1332124130 /nfs/dbraw/zinc/12/41/30/1332124130.db2.gz OSJDGJPNRZOKKF-OAHLLOKOSA-N 2 0 332.448 2.041 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001317355505 1332192303 /nfs/dbraw/zinc/19/23/03/1332192303.db2.gz CYWJFMSZTDKPLZ-SJORKVTESA-N 2 0 337.508 2.080 10 30 EEEERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]CC#Cc1ccccc1 ZINC001319195248 1332663496 /nfs/dbraw/zinc/66/34/96/1332663496.db2.gz GJODJRJWILGBFK-ICSRJNTNSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001319869480 1332789137 /nfs/dbraw/zinc/78/91/37/1332789137.db2.gz OITZDEYMEANSFV-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001327488123 1334300678 /nfs/dbraw/zinc/30/06/78/1334300678.db2.gz CRNNGRIKIIJIAS-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001328457969 1334461065 /nfs/dbraw/zinc/46/10/65/1334461065.db2.gz BRGDHENXPFUSDK-KRWDZBQOSA-N 2 0 327.472 2.016 10 30 EEEERP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001328692908 1334500551 /nfs/dbraw/zinc/50/05/51/1334500551.db2.gz DCJHLVCOZNXZPL-UYAOXDASSA-N 2 0 341.499 2.359 10 30 EEEERP C#CCC[N@@H+](C)C1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001331054495 1334954497 /nfs/dbraw/zinc/95/44/97/1334954497.db2.gz RTYURONOHSYEHN-LJQANCHMSA-N 2 0 337.483 2.145 10 30 EEEERP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C1([NH+](C)C)CCC1 ZINC001331081886 1334960361 /nfs/dbraw/zinc/96/03/61/1334960361.db2.gz YUQLRCIAPHQTBQ-UHFFFAOYSA-N 2 0 327.472 2.112 10 30 EEEERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CCCC[NH+](C)C ZINC001332044910 1335712742 /nfs/dbraw/zinc/71/27/42/1335712742.db2.gz CUJSLJZIPMHCHL-HUUCEWRRSA-N 2 0 348.516 2.431 10 30 EEEERP CN(CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001567289055 1342733993 /nfs/dbraw/zinc/73/39/93/1342733993.db2.gz SJWCNWDVZAWGQI-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567740977 1342829616 /nfs/dbraw/zinc/82/96/16/1342829616.db2.gz AMOAIIQHDIRHRF-GOSISDBHSA-N 2 0 333.520 2.465 10 30 EEEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001569442722 1342870712 /nfs/dbraw/zinc/87/07/12/1342870712.db2.gz GLBJEPCYJZOPIH-IPQPSQTFSA-N 2 0 331.504 2.386 10 30 EEEERP C#CCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001570366211 1343062340 /nfs/dbraw/zinc/06/23/40/1343062340.db2.gz RVKUJKNTTLOIHM-RDJZCZTQSA-N 2 0 331.460 2.195 10 30 EEEERP CC#CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001676821125 1357213556 /nfs/dbraw/zinc/21/35/56/1357213556.db2.gz RFFGSYJKMOTMIX-UYAOXDASSA-N 2 0 331.504 2.389 10 30 EEEERP C=CCC[NH2+]C1CC(N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001677410553 1357328806 /nfs/dbraw/zinc/32/88/06/1357328806.db2.gz FDWJXRVUNBOJOR-UHFFFAOYSA-N 2 0 325.416 2.036 10 30 EEEERP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001661213495 1354608389 /nfs/dbraw/zinc/60/83/89/1354608389.db2.gz SNTCWTYDGXJMRY-MJGOQNOKSA-N 2 0 333.520 2.465 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001663968815 1355064414 /nfs/dbraw/zinc/06/44/14/1355064414.db2.gz WMBVBNFAUVPFLE-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC001666344878 1355514831 /nfs/dbraw/zinc/51/48/31/1355514831.db2.gz RXUHSHGQLOZSOA-UHFFFAOYSA-N 2 0 349.478 2.444 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001666345255 1355515100 /nfs/dbraw/zinc/51/51/00/1355515100.db2.gz YUKUCLUKJVCIRE-HXUWFJFHSA-N 2 0 345.462 2.238 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001667301531 1355702812 /nfs/dbraw/zinc/70/28/12/1355702812.db2.gz FIWPTERSSAHIQQ-FQEVSTJZSA-N 2 0 345.531 2.493 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1cc(F)ccc1C#N ZINC001668320373 1355922883 /nfs/dbraw/zinc/92/28/83/1355922883.db2.gz QALSZCXMDDGFKT-CQSZACIVSA-N 2 0 334.439 2.022 10 30 EEEERP C#CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCC(C)C)CC1 ZINC001671477622 1356347088 /nfs/dbraw/zinc/34/70/88/1356347088.db2.gz STVFEVZTFNIHDH-HXUWFJFHSA-N 2 0 345.531 2.301 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001672543404 1356551981 /nfs/dbraw/zinc/55/19/81/1356551981.db2.gz IPGXBRQAHSGQJY-RTBURBONSA-N 2 0 349.519 2.130 10 30 EEEERP C=CCOCC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001673928060 1356761352 /nfs/dbraw/zinc/76/13/52/1356761352.db2.gz ANFDCELMABVECV-LPHOPBHVSA-N 2 0 345.487 2.001 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698792017 1405066352 /nfs/dbraw/zinc/06/63/52/1405066352.db2.gz JDKPIRNFNANELY-IAGOWNOFSA-N 2 0 339.524 2.136 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]Cc2csc(C)c2)CC1 ZINC001698859187 1405115857 /nfs/dbraw/zinc/11/58/57/1405115857.db2.gz BHYVGTMFCXMKDQ-OAHLLOKOSA-N 2 0 347.528 2.338 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001699102567 1405255352 /nfs/dbraw/zinc/25/53/52/1405255352.db2.gz OBDWYFQWMVASRE-AYOQOUSVSA-N 2 0 342.487 2.273 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699114228 1405269792 /nfs/dbraw/zinc/26/97/92/1405269792.db2.gz CRRNZUHLLCETQH-VQIMIIECSA-N 2 0 345.462 2.146 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699758674 1405469220 /nfs/dbraw/zinc/46/92/20/1405469220.db2.gz MLYUVCWBMCBOAK-MAUKXSAKSA-N 2 0 325.472 2.356 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000912466721 788185235 /nfs/dbraw/zinc/18/52/35/788185235.db2.gz YSWWFTCSMSVGJD-IBGZPJMESA-N 2 0 329.488 2.270 10 30 EEEERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001436438849 1087830922 /nfs/dbraw/zinc/83/09/22/1087830922.db2.gz LRZKIAJVWPVLAU-ZWKOTPCHSA-N 2 0 346.450 2.118 10 30 EEEERP C[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCCCC1 ZINC001437212973 1089291066 /nfs/dbraw/zinc/29/10/66/1089291066.db2.gz IAUAAKBDSWXACN-LSDHHAIUSA-N 2 0 348.516 2.479 10 30 EEEERP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001437221568 1089305362 /nfs/dbraw/zinc/30/53/62/1089305362.db2.gz NRJZSIWOTLNKAD-OAHLLOKOSA-N 2 0 346.450 2.024 10 30 EEEERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001437901448 1090481624 /nfs/dbraw/zinc/48/16/24/1090481624.db2.gz CDZBZTTZMKVNAF-LJQANCHMSA-N 2 0 342.487 2.323 10 30 EEEERP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001439228002 1091872543 /nfs/dbraw/zinc/87/25/43/1091872543.db2.gz VBVBDUXFKXBNCW-KBPBESRZSA-N 2 0 346.313 2.110 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001440387601 1093561368 /nfs/dbraw/zinc/56/13/68/1093561368.db2.gz AUEIOVGDXWXHIZ-KRWDZBQOSA-N 2 0 346.450 2.120 10 30 EEEERP C[C@](C[NH2+]Cc1ccc(C#N)s1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001444141128 1098680509 /nfs/dbraw/zinc/68/05/09/1098680509.db2.gz NTBIIDTTZGELGV-GOSISDBHSA-N 2 0 346.500 2.090 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H](C)[NH2+]CCCF)CC1 ZINC001479835888 1099119943 /nfs/dbraw/zinc/11/99/43/1099119943.db2.gz YOGLENOISFRHLI-FUHWJXTLSA-N 2 0 337.483 2.050 10 30 EEEERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1ccc(C#N)s1 ZINC001479855186 1099157240 /nfs/dbraw/zinc/15/72/40/1099157240.db2.gz XXWJIPIBPPECFZ-HNNXBMFYSA-N 2 0 348.516 2.290 10 30 EEEERP CN(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001444988266 1100117595 /nfs/dbraw/zinc/11/75/95/1100117595.db2.gz BXUGINGQDULBDS-IBGZPJMESA-N 2 0 342.487 2.323 10 30 EEEERP CC#CC[NH2+]C1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001480410273 1100227833 /nfs/dbraw/zinc/22/78/33/1100227833.db2.gz CEZRDWVGDRLPHB-UHFFFAOYSA-N 2 0 331.504 2.149 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480472058 1100278540 /nfs/dbraw/zinc/27/85/40/1100278540.db2.gz MRKQNJQTIJIIML-LPHOPBHVSA-N 2 0 345.462 2.146 10 30 EEEERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001480521791 1100352344 /nfs/dbraw/zinc/35/23/44/1100352344.db2.gz LFHISYHWFFOKRC-APWZRJJASA-N 2 0 342.487 2.275 10 30 EEEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001495426096 1101143708 /nfs/dbraw/zinc/14/37/08/1101143708.db2.gz RZFDSCARGYFHLW-UHFFFAOYSA-N 2 0 327.900 2.299 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]Cc2ccc(C)cc2)CC1 ZINC001497331571 1102337527 /nfs/dbraw/zinc/33/75/27/1102337527.db2.gz MGLMOKFMROEBDA-GOSISDBHSA-N 2 0 341.499 2.325 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497894754 1103272587 /nfs/dbraw/zinc/27/25/87/1103272587.db2.gz GJQHTMPYEOSCSE-OAHLLOKOSA-N 2 0 347.890 2.128 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001494018340 1103355587 /nfs/dbraw/zinc/35/55/87/1103355587.db2.gz LPCHAFVEKHRGAP-CVEARBPZSA-N 2 0 327.900 2.442 10 30 EEEERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001447908302 1103570152 /nfs/dbraw/zinc/57/01/52/1103570152.db2.gz SVAUNNLBCZJACL-UONOGXRCSA-N 2 0 334.439 2.022 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC/C=C/CCC)C2)CC1 ZINC001494792133 1104375540 /nfs/dbraw/zinc/37/55/40/1104375540.db2.gz IIWSABICPLADLH-OVKVCFKUSA-N 2 0 331.504 2.269 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC001498197489 1107064013 /nfs/dbraw/zinc/06/40/13/1107064013.db2.gz NFHPMLHPIGUSHA-HNNXBMFYSA-N 2 0 347.890 2.280 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001498659489 1107913590 /nfs/dbraw/zinc/91/35/90/1107913590.db2.gz YJHPUELCQPTEAF-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001499492267 1112320231 /nfs/dbraw/zinc/32/02/31/1112320231.db2.gz UREUONWSIJJXMQ-HRVKUGKESA-N 2 0 331.504 2.386 10 30 EEEERP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001500161646 1112648573 /nfs/dbraw/zinc/64/85/73/1112648573.db2.gz MPPMRWZYPBOZHK-LJQANCHMSA-N 2 0 331.504 2.056 10 30 EEEERP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001501221578 1113249271 /nfs/dbraw/zinc/24/92/71/1113249271.db2.gz CQACIRDCLFXRGC-IXDOHACOSA-N 2 0 325.472 2.023 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406950 1113671575 /nfs/dbraw/zinc/67/15/75/1113671575.db2.gz WUEBFKXNFMHSLU-OALUTQOASA-N 2 0 345.531 2.445 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001502985904 1113866552 /nfs/dbraw/zinc/86/65/52/1113866552.db2.gz IQLMPBYKRDCFFQ-IRXDYDNUSA-N 2 0 339.524 2.136 10 30 EEEERP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001506005614 1114337657 /nfs/dbraw/zinc/33/76/57/1114337657.db2.gz DXRBVJMBMXYZOE-QRQLOZEOSA-N 2 0 329.488 2.344 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001507361831 1115222482 /nfs/dbraw/zinc/22/24/82/1115222482.db2.gz DCWGVNNEDXJKJD-RCCFBDPRSA-N 2 0 331.504 2.265 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001568407689 1124477040 /nfs/dbraw/zinc/47/70/40/1124477040.db2.gz TUDDXZNWUVSRMA-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001565871180 1125446113 /nfs/dbraw/zinc/44/61/13/1125446113.db2.gz ABPWTAKCTFNVPQ-ZHALLVOQSA-N 2 0 331.504 2.291 10 30 EEEERP C=CCNC(N[C@@H](C)c1ccccc1)=[NH+]C[C@@H]1CC[N@@H+](CCOC)C1 ZINC000075583132 462734168 /nfs/dbraw/zinc/73/41/68/462734168.db2.gz IGCZZKBJBISPNJ-ROUUACIJSA-N 2 0 344.503 2.437 10 30 EEEERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCC(C)(C)C#N)CC2)C1 ZINC000174849565 464458596 /nfs/dbraw/zinc/45/85/96/464458596.db2.gz HEABAZOIWRMHSF-SFHVURJKSA-N 2 0 336.524 2.043 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000594449323 468593040 /nfs/dbraw/zinc/59/30/40/468593040.db2.gz GNLSHYGNJBXFLA-GBESFXJTSA-N 2 0 340.471 2.131 10 30 EEEERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000600722947 468635633 /nfs/dbraw/zinc/63/56/33/468635633.db2.gz KVGPNLYIVSJHPD-SFHVURJKSA-N 2 0 331.460 2.010 10 30 EEEERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000602583718 469372237 /nfs/dbraw/zinc/37/22/37/469372237.db2.gz RVFRMFXVNNFQMM-QRQLOZEOSA-N 2 0 342.487 2.282 10 30 EEEERP C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000262008496 682809498 /nfs/dbraw/zinc/80/94/98/682809498.db2.gz WCTVDKMKTVSOSY-WMLDXEAASA-N 2 0 342.491 2.265 10 30 EEEERP C[NH+](C)CCCCC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001691124659 1177614397 /nfs/dbraw/zinc/61/43/97/1177614397.db2.gz PYPRILKKKISXAD-BGYRXZFFSA-N 2 0 341.499 2.254 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266891387 1177725434 /nfs/dbraw/zinc/72/54/34/1177725434.db2.gz OWWUOUWPVYHQOV-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001266985035 1178040103 /nfs/dbraw/zinc/04/01/03/1178040103.db2.gz ZWZXFCWQSOCVIV-OAHLLOKOSA-N 2 0 335.879 2.128 10 30 EEEERP C=CC[NH2+]CCc1ccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001267098096 1178235311 /nfs/dbraw/zinc/23/53/11/1178235311.db2.gz DOTJTXGYRQSSJG-CALCHBBNSA-N 2 0 329.488 2.494 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)CC[NH+]1CCCCC1 ZINC001267116794 1178280412 /nfs/dbraw/zinc/28/04/12/1178280412.db2.gz HWQINOJUCYSVKD-UHFFFAOYSA-N 2 0 346.450 2.121 10 30 EEEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001267491632 1179164999 /nfs/dbraw/zinc/16/49/99/1179164999.db2.gz LKQCAEXVKMDNQH-QZTJIDSGSA-N 2 0 333.520 2.491 10 30 EEEERP C[NH+](C)CCCC(=O)NCC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001267570795 1179425569 /nfs/dbraw/zinc/42/55/69/1179425569.db2.gz SKXZNQNRMWOUCY-HXUWFJFHSA-N 2 0 341.499 2.208 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC2CCCCC2)CC1 ZINC001268099859 1181744618 /nfs/dbraw/zinc/74/46/18/1181744618.db2.gz QICQXWBIDHSKQO-QGZVFWFLSA-N 2 0 333.520 2.348 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001268799007 1183719302 /nfs/dbraw/zinc/71/93/02/1183719302.db2.gz QUWCDPAWHZWWPU-SFHVURJKSA-N 2 0 348.466 2.222 10 30 EEEERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC001269417425 1184253173 /nfs/dbraw/zinc/25/31/73/1184253173.db2.gz IKDAENSSHYQQKT-OALUTQOASA-N 2 0 329.488 2.109 10 30 EEEERP C=CCOCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001269593017 1184417095 /nfs/dbraw/zinc/41/70/95/1184417095.db2.gz LUEFRAFLUQQGEJ-OTWHNJEPSA-N 2 0 349.519 2.129 10 30 EEEERP CC#CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CCCCCC1 ZINC001269611868 1184442546 /nfs/dbraw/zinc/44/25/46/1184442546.db2.gz UAXFYVGPJODAAP-UHFFFAOYSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCC[N@@H+](CCOC)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001269644999 1184466607 /nfs/dbraw/zinc/46/66/07/1184466607.db2.gz WVWWKDBVPOMZKQ-UHFFFAOYSA-N 2 0 349.519 2.130 10 30 EEEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001284738502 1184753736 /nfs/dbraw/zinc/75/37/36/1184753736.db2.gz YZRQPCZGWAIZTG-ZIAGYGMSSA-N 2 0 335.414 2.273 10 30 EEEERP C#CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](CCC=C)CC1 ZINC001270364426 1185048602 /nfs/dbraw/zinc/04/86/02/1185048602.db2.gz PAQHLNKOWXDZNI-QZTJIDSGSA-N 2 0 331.504 2.362 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCCN(CC(=C)Cl)C1 ZINC001270965688 1185776919 /nfs/dbraw/zinc/77/69/19/1185776919.db2.gz NDFKDCJDGJEHGG-FUHWJXTLSA-N 2 0 337.895 2.055 10 30 EEEERP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271102080 1185886743 /nfs/dbraw/zinc/88/67/43/1185886743.db2.gz XELKZMUIRSSLER-GJZGRUSLSA-N 2 0 331.451 2.366 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CC(C)C)CC1 ZINC001482460760 1185925624 /nfs/dbraw/zinc/92/56/24/1185925624.db2.gz LLFQMULJXRVWIC-IBGZPJMESA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+](CCC)CCC)C[C@H]2C1 ZINC001271891512 1186586776 /nfs/dbraw/zinc/58/67/76/1186586776.db2.gz KQJPFXLXVOAOCN-KDURUIRLSA-N 2 0 333.520 2.302 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cc(F)ccc2C)CC1 ZINC001691619373 1188319982 /nfs/dbraw/zinc/31/99/82/1188319982.db2.gz LYXNUZHBLOJXOD-UHFFFAOYSA-N 2 0 345.462 2.027 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[C@@H](C)n1ccnc1 ZINC001483171597 1189010488 /nfs/dbraw/zinc/01/04/88/1189010488.db2.gz ZCSKAKXBNWRMEK-ZIAGYGMSSA-N 2 0 343.406 2.139 10 30 EEEERP C=CC[NH+]1CCc2c(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001272917338 1193603378 /nfs/dbraw/zinc/60/33/78/1193603378.db2.gz UAWPIPCIWHPEPJ-MRXNPFEDSA-N 2 0 327.472 2.189 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001486096758 1193679872 /nfs/dbraw/zinc/67/98/72/1193679872.db2.gz RWOJRKNUZPNBLL-DOTOQJQBSA-N 2 0 331.460 2.337 10 30 EEEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCn1ccnc1C ZINC001483805721 1191051900 /nfs/dbraw/zinc/05/19/00/1191051900.db2.gz WJTRJWDPWQCPTQ-YQQQUEKLSA-N 2 0 342.487 2.497 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001483915681 1191115189 /nfs/dbraw/zinc/11/51/89/1191115189.db2.gz HPQRLPRSHXKCFV-IAGOWNOFSA-N 2 0 337.508 2.033 10 30 EEEERP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001484393546 1191332505 /nfs/dbraw/zinc/33/25/05/1191332505.db2.gz AVHXBXUFNKYBSL-ZHALLVOQSA-N 2 0 333.520 2.417 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001484462096 1191366341 /nfs/dbraw/zinc/36/63/41/1191366341.db2.gz BELGZZIQBAUBSP-RBUKOAKNSA-N 2 0 331.504 2.341 10 30 EEEERP CC(C)[C@H](C(=O)NCC1([NH2+]CC#Cc2ccccc2)CCC1)[NH+](C)C ZINC001484648845 1191454868 /nfs/dbraw/zinc/45/48/68/1191454868.db2.gz ABJRRUBKXVMWPG-LJQANCHMSA-N 2 0 341.499 2.253 10 30 EEEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001485031842 1191622083 /nfs/dbraw/zinc/62/20/83/1191622083.db2.gz UFGVZXDQMXQBJP-SFHVURJKSA-N 2 0 339.499 2.250 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CC(=C)Cl)CC1 ZINC001273025579 1194332958 /nfs/dbraw/zinc/33/29/58/1194332958.db2.gz YHRJKRVYPVPVOM-QGZVFWFLSA-N 2 0 337.895 2.055 10 30 EEEERP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)CC1 ZINC001671055822 1194356297 /nfs/dbraw/zinc/35/62/97/1194356297.db2.gz YXJUNVNAYRHEJW-INIZCTEOSA-N 2 0 325.472 2.167 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCC1 ZINC001273122601 1194405858 /nfs/dbraw/zinc/40/58/58/1194405858.db2.gz VOOCAPBIXGUBTI-UHFFFAOYSA-N 2 0 339.443 2.476 10 30 EEEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCO1 ZINC001273321862 1198126638 /nfs/dbraw/zinc/12/66/38/1198126638.db2.gz ACYNWJADHIYGCI-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000876751195 1199755411 /nfs/dbraw/zinc/75/54/11/1199755411.db2.gz ZKPPEBIQHREKSS-ZIAGYGMSSA-N 2 0 325.840 2.311 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000876764597 1199764068 /nfs/dbraw/zinc/76/40/68/1199764068.db2.gz NATJXKHSPBGWOF-CQSZACIVSA-N 2 0 345.940 2.324 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000876840168 1199792540 /nfs/dbraw/zinc/79/25/40/1199792540.db2.gz LEZUJRNJHZBPKN-ZIAGYGMSSA-N 2 0 328.243 2.283 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000876967839 1199832672 /nfs/dbraw/zinc/83/26/72/1199832672.db2.gz MCPFGLJSDLQSOX-IRXDYDNUSA-N 2 0 335.879 2.232 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001274106048 1204373335 /nfs/dbraw/zinc/37/33/35/1204373335.db2.gz UWWDWELLIVNJBV-LSTKMXGYSA-N 2 0 340.471 2.195 10 30 EEEERP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001275185465 1205277465 /nfs/dbraw/zinc/27/74/65/1205277465.db2.gz YJSXFLSZWURLLW-WOJBJXKFSA-N 2 0 345.531 2.446 10 30 EEEERP C[C@H](CN(C)CC#Cc1ccc(F)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001275574186 1205423217 /nfs/dbraw/zinc/42/32/17/1205423217.db2.gz PURIWHBYDAWXIB-MRXNPFEDSA-N 2 0 345.462 2.098 10 30 EEEERP C[C@H](Cc1c[nH]cn1)C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001276272557 1205863729 /nfs/dbraw/zinc/86/37/29/1205863729.db2.gz ZPRTYLZHUDXJLX-QGZVFWFLSA-N 2 0 338.455 2.078 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037119465 1213851749 /nfs/dbraw/zinc/85/17/49/1213851749.db2.gz CSQYWLWMDBQHGW-VQTJNVASSA-N 2 0 345.531 2.396 10 30 EEEERP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000303986692 1213936249 /nfs/dbraw/zinc/93/62/49/1213936249.db2.gz UQGRGCFKBNIGIC-ZDUSSCGKSA-N 2 0 340.855 2.186 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001490302433 1291137616 /nfs/dbraw/zinc/13/76/16/1291137616.db2.gz ICHYTPVWJLGKCC-LSDHHAIUSA-N 2 0 325.884 2.194 10 30 EEEERP C=C(C)CC[NH2+][C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001490685631 1291617029 /nfs/dbraw/zinc/61/70/29/1291617029.db2.gz ATMCSWZNKRHRPT-SFHVURJKSA-N 2 0 339.443 2.332 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@]1(C)CCN(CC#Cc2ccc(F)cc2)C1 ZINC001278437839 1310264779 /nfs/dbraw/zinc/26/47/79/1310264779.db2.gz JEGGBPIOUNXNJP-HXUWFJFHSA-N 2 0 345.462 2.100 10 30 EEEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001278498465 1310828887 /nfs/dbraw/zinc/82/88/87/1310828887.db2.gz LFGKUYVDUVWCOU-GHTZIAJQSA-N 2 0 345.531 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](CC(=C)C)C2)CC1 ZINC001278692764 1317755653 /nfs/dbraw/zinc/75/56/53/1317755653.db2.gz CCZIKGFYDSILEL-FQEVSTJZSA-N 2 0 331.504 2.126 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001263851820 1322537426 /nfs/dbraw/zinc/53/74/26/1322537426.db2.gz WCVRDBPDBUZAKR-IZAXUBKRSA-N 2 0 333.520 2.252 10 30 EEEERP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001264408947 1322693602 /nfs/dbraw/zinc/69/36/02/1322693602.db2.gz XOPDBNPFHHSQEL-UHOSZYNNSA-N 2 0 345.462 2.002 10 30 EEEERP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001264767702 1322812236 /nfs/dbraw/zinc/81/22/36/1322812236.db2.gz UWIDPAKFBJWSFZ-RBUKOAKNSA-N 2 0 345.487 2.105 10 30 EEEERP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+](Cc2ccc(C#N)s2)C2CC2)C1 ZINC001265182838 1322973276 /nfs/dbraw/zinc/97/32/76/1322973276.db2.gz RNZWFARNUYDCHH-CQSZACIVSA-N 2 0 346.500 2.042 10 30 EEEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265303791 1323054235 /nfs/dbraw/zinc/05/42/35/1323054235.db2.gz PCNXOPWKQDXPHP-YJBOKZPZSA-N 2 0 325.472 2.356 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266007208 1323561113 /nfs/dbraw/zinc/56/11/13/1323561113.db2.gz VJKMYHNNVROSRH-QUCCMNQESA-N 2 0 341.499 2.349 10 30 EEEERP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001281670085 1325386594 /nfs/dbraw/zinc/38/65/94/1325386594.db2.gz LUCCHTJYGHLWHQ-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP CN(CC(C)(C)C[NH2+]CC#Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001282335597 1325694524 /nfs/dbraw/zinc/69/45/24/1325694524.db2.gz PVUOKKHBDARYFD-LJQANCHMSA-N 2 0 341.499 2.064 10 30 EEEERP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCCC1 ZINC001282614669 1325752201 /nfs/dbraw/zinc/75/22/01/1325752201.db2.gz FFJWAFKQXKAEGT-ROUUACIJSA-N 2 0 331.504 2.435 10 30 EEEERP C=CCOCC[N@H+]1CCCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001282667746 1325760829 /nfs/dbraw/zinc/76/08/29/1325760829.db2.gz RMKOFHHEBSNHDG-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001316642915 1327344927 /nfs/dbraw/zinc/34/49/27/1327344927.db2.gz SARMILRTTFORQE-RBUKOAKNSA-N 2 0 339.483 2.078 10 30 EEEERP C[N@H+](CC#Cc1ccccc1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491964718 1330359394 /nfs/dbraw/zinc/35/93/94/1330359394.db2.gz AMCKEKHQWBLYRS-FQEVSTJZSA-N 2 0 339.483 2.057 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317189781 1332122995 /nfs/dbraw/zinc/12/29/95/1332122995.db2.gz TZIWYKFWMMOPKP-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001317471278 1332257598 /nfs/dbraw/zinc/25/75/98/1332257598.db2.gz HQDKWWJXRXUVEK-QGZVFWFLSA-N 2 0 327.472 2.141 10 30 EEEERP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001320553142 1332908670 /nfs/dbraw/zinc/90/86/70/1332908670.db2.gz PWJINMIGIOAINJ-UHOSZYNNSA-N 2 0 329.488 2.392 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)c1ccc2ccccc2c1 ZINC001324452010 1333686490 /nfs/dbraw/zinc/68/64/90/1333686490.db2.gz SAXKOOXMTZRUMY-HXUWFJFHSA-N 2 0 347.462 2.316 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309802 1334264314 /nfs/dbraw/zinc/26/43/14/1334264314.db2.gz YCBNNSRIJBCFAW-RTBURBONSA-N 2 0 345.531 2.445 10 30 EEEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC001330428186 1334842544 /nfs/dbraw/zinc/84/25/44/1334842544.db2.gz LSQWJBGTXURSML-APWZRJJASA-N 2 0 345.487 2.143 10 30 EEEERP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001331602621 1335044264 /nfs/dbraw/zinc/04/42/64/1335044264.db2.gz ZPBGOEWAJBXGPV-MRXNPFEDSA-N 2 0 349.906 2.470 10 30 EEEERP C[C@H](C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1)[NH+]1CCCCCC1 ZINC001567059478 1342688943 /nfs/dbraw/zinc/68/89/43/1342688943.db2.gz OJXZSLWGRBYYCG-RBUKOAKNSA-N 2 0 341.499 2.397 10 30 EEEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001569595658 1342905145 /nfs/dbraw/zinc/90/51/45/1342905145.db2.gz XHAZSBFOGBVYTR-FAFZWHIHSA-N 2 0 333.520 2.299 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001571073257 1343160833 /nfs/dbraw/zinc/16/08/33/1343160833.db2.gz RQXFQKBQKCODIY-KRWDZBQOSA-N 2 0 349.519 2.034 10 30 EEEERP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)CCCC[NH+](C)C ZINC001676766902 1357196536 /nfs/dbraw/zinc/19/65/36/1357196536.db2.gz KJTNVVCJFDPGEJ-QFBILLFUSA-N 2 0 342.487 2.369 10 30 EEEERP CC#CC[NH+]1CCC(C2(NC(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC001677467009 1357336024 /nfs/dbraw/zinc/33/60/24/1357336024.db2.gz CINQGBRVPWRYPL-UHFFFAOYSA-N 2 0 331.504 2.102 10 30 EEEERP C=CC[C@@H](CO)[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001659028203 1354372063 /nfs/dbraw/zinc/37/20/63/1354372063.db2.gz FZYJHKJHINITPT-SFHVURJKSA-N 2 0 347.459 2.376 10 30 EEEERP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001661079290 1354587722 /nfs/dbraw/zinc/58/77/22/1354587722.db2.gz XCTFALWCMUWLTF-RBUKOAKNSA-N 2 0 345.531 2.491 10 30 EEEERP C#CC[NH2+]CCC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001666253226 1355496444 /nfs/dbraw/zinc/49/64/44/1355496444.db2.gz WBTKTBFZNFMULN-UHFFFAOYSA-N 2 0 327.472 2.213 10 30 EEEERP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)C1([NH+](C)C)CCC1 ZINC001672924795 1356615989 /nfs/dbraw/zinc/61/59/89/1356615989.db2.gz DDMYYSUSSZBVQE-UHFFFAOYSA-N 2 0 327.472 2.242 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001672994623 1356628752 /nfs/dbraw/zinc/62/87/52/1356628752.db2.gz HULDKCBIEFRZMV-FHWLQOOXSA-N 2 0 333.520 2.395 10 30 EEEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001673617373 1356718173 /nfs/dbraw/zinc/71/81/73/1356718173.db2.gz DSQQAMJTBDXJBX-ZWKOTPCHSA-N 2 0 331.504 2.387 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001674481046 1356843706 /nfs/dbraw/zinc/84/37/06/1356843706.db2.gz PBQUSBIALTUVCP-IBGZPJMESA-N 2 0 345.462 2.052 10 30 EEEERP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001674812659 1356900013 /nfs/dbraw/zinc/90/00/13/1356900013.db2.gz UFOVDUDOYUHJQY-CTWPCTMYSA-N 2 0 333.520 2.489 10 30 EEEERP C#CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](CC(C)C)CC1 ZINC001699789137 1405485925 /nfs/dbraw/zinc/48/59/25/1405485925.db2.gz LNNZMHZFERPQFD-QZTJIDSGSA-N 2 0 333.520 2.441 10 30 EEEERP C[NH+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC001437090088 1089043347 /nfs/dbraw/zinc/04/33/47/1089043347.db2.gz RGPMDGOWBXVMIZ-UHFFFAOYSA-N 2 0 346.450 2.166 10 30 EEEERP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445386125 1091129698 /nfs/dbraw/zinc/12/96/98/1091129698.db2.gz PDTOXLBTXSGUGS-QAPCUYQASA-N 2 0 328.460 2.027 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001438766633 1091342245 /nfs/dbraw/zinc/34/22/45/1091342245.db2.gz HTGWELWUIGYIKQ-LSDHHAIUSA-N 2 0 325.884 2.051 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001441831427 1095887664 /nfs/dbraw/zinc/88/76/64/1095887664.db2.gz HNNIXAKLKWRJES-PBHICJAKSA-N 2 0 346.450 2.117 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480472616 1100280551 /nfs/dbraw/zinc/28/05/51/1100280551.db2.gz QNJZCFQDDDSXQG-CRAIPNDOSA-N 2 0 328.460 2.027 10 30 EEEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCC1 ZINC001447251594 1102298090 /nfs/dbraw/zinc/29/80/90/1102298090.db2.gz RFYKPOMQUVVZMK-HNNXBMFYSA-N 2 0 327.900 2.488 10 30 EEEERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001447915020 1103584216 /nfs/dbraw/zinc/58/42/16/1103584216.db2.gz VJGXHXLBBDSLDB-HUUCEWRRSA-N 2 0 348.516 2.334 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC/C=C/CC)C2)CC1 ZINC001480679493 1106868947 /nfs/dbraw/zinc/86/89/47/1106868947.db2.gz AALLCFPTNIOJJI-QWNKOJSDSA-N 2 0 331.504 2.126 10 30 EEEERP C=C(C)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001480713719 1106941131 /nfs/dbraw/zinc/94/11/31/1106941131.db2.gz JEASDGAZHCVBBK-IBGZPJMESA-N 2 0 329.488 2.495 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001498168101 1107012509 /nfs/dbraw/zinc/01/25/09/1107012509.db2.gz KFRSQQUFFJHRLG-HNNXBMFYSA-N 2 0 335.879 2.128 10 30 EEEERP C[C@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001480771070 1107083341 /nfs/dbraw/zinc/08/33/41/1107083341.db2.gz OMDYNPWZXKUSOA-APWZRJJASA-N 2 0 342.487 2.417 10 30 EEEERP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC#Cc1ccccc1 ZINC001480798668 1107137782 /nfs/dbraw/zinc/13/77/82/1107137782.db2.gz IVLZZSDXSVVPLB-LJQANCHMSA-N 2 0 341.499 2.254 10 30 EEEERP C#CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]cn1)C1CCCCCC1 ZINC001499523039 1112339557 /nfs/dbraw/zinc/33/95/57/1112339557.db2.gz XPQPOTABNFFIQV-INIZCTEOSA-N 2 0 330.476 2.363 10 30 EEEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001500523123 1112916175 /nfs/dbraw/zinc/91/61/75/1112916175.db2.gz RCOOCLWILFOWBH-RBUKOAKNSA-N 2 0 337.483 2.050 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001501617887 1113401257 /nfs/dbraw/zinc/40/12/57/1113401257.db2.gz GJELXLAVMJKWKH-APWZRJJASA-N 2 0 337.483 2.050 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001501698270 1113440369 /nfs/dbraw/zinc/44/03/69/1113440369.db2.gz JARRTFLCXVWCIT-NCXUSEDFSA-N 2 0 331.504 2.291 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCO1 ZINC001502079856 1113580058 /nfs/dbraw/zinc/58/00/58/1113580058.db2.gz YJWLRTADYAUYTO-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CCC(C)C)CC2)CC1 ZINC001502810621 1113807920 /nfs/dbraw/zinc/80/79/20/1113807920.db2.gz BANOFRGZZGLIHI-UHFFFAOYSA-N 2 0 333.520 2.348 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001505735011 1114158828 /nfs/dbraw/zinc/15/88/28/1114158828.db2.gz JSKJAWZKRGEWBL-UONOGXRCSA-N 2 0 334.439 2.022 10 30 EEEERP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001506522760 1114671670 /nfs/dbraw/zinc/67/16/70/1114671670.db2.gz XRZBIGGGDYKNLN-MSOLQXFVSA-N 2 0 331.504 2.435 10 30 EEEERP CC#CC[NH2+]C[C@](C)(NC(=O)c1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC001568027569 1124237055 /nfs/dbraw/zinc/23/70/55/1124237055.db2.gz DBMQOYOLAZQTCG-NRFANRHFSA-N 2 0 341.499 2.302 10 30 EEEERP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001568406169 1124475385 /nfs/dbraw/zinc/47/53/85/1124475385.db2.gz FDUKUJOVYCPVEU-HUUCEWRRSA-N 2 0 333.501 2.273 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001568693226 1124706342 /nfs/dbraw/zinc/70/63/42/1124706342.db2.gz RLTJIKNBMKGBMM-IBGZPJMESA-N 2 0 341.499 2.254 10 30 EEEERP C[NH+]1CCN(CCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352821943 162299864 /nfs/dbraw/zinc/29/98/64/162299864.db2.gz IKGJFWSDDRHNCO-UHFFFAOYSA-N 2 0 340.393 2.304 10 30 EEEERP CC[NH+]1CCC(CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000515347966 270021633 /nfs/dbraw/zinc/02/16/33/270021633.db2.gz RRRYQUJXGLKNEH-UHFFFAOYSA-N 2 0 349.500 2.044 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000171686867 463905637 /nfs/dbraw/zinc/90/56/37/463905637.db2.gz ZHMIBLWFJAGLJS-SFHVURJKSA-N 2 0 334.508 2.297 10 30 EEEERP C(#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)C[NH+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000366941210 466030550 /nfs/dbraw/zinc/03/05/50/466030550.db2.gz AIBLJCQBVDQYOC-WTGUMLROSA-N 2 0 332.488 2.277 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000594437539 468586228 /nfs/dbraw/zinc/58/62/28/468586228.db2.gz JWTMKZMCFLIADA-IBGZPJMESA-N 2 0 342.487 2.426 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000594439408 468587581 /nfs/dbraw/zinc/58/75/81/468587581.db2.gz VNXFTUUIDFRZKQ-KRWDZBQOSA-N 2 0 348.516 2.488 10 30 EEEERP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715774 468630728 /nfs/dbraw/zinc/63/07/28/468630728.db2.gz ILHCJBGXIWKZPK-KSZLIROESA-N 2 0 337.508 2.015 10 30 EEEERP Cc1ccc([C@H](CNC(=[NH2+])NC[C@H]2CCCO2)[NH+]2CCCC2)cc1 ZINC000066244113 681445825 /nfs/dbraw/zinc/44/58/25/681445825.db2.gz BMBXVVCDBUZIDU-MSOLQXFVSA-N 2 0 330.476 2.215 10 30 EEEERP C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001485650441 1191870145 /nfs/dbraw/zinc/87/01/45/1191870145.db2.gz MDYQXGWYUUORNW-QFBILLFUSA-N 2 0 345.487 2.143 10 30 EEEERP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001671355532 1177008048 /nfs/dbraw/zinc/00/80/48/1177008048.db2.gz NDEPVYCYGXZVMS-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001266947338 1177869709 /nfs/dbraw/zinc/86/97/09/1177869709.db2.gz GCIYESNSIBGJOP-RHSMWYFYSA-N 2 0 335.879 2.126 10 30 EEEERP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001267096517 1178231248 /nfs/dbraw/zinc/23/12/48/1178231248.db2.gz SAVYADDANQCWIV-VQTJNVASSA-N 2 0 341.499 2.189 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267386307 1178946468 /nfs/dbraw/zinc/94/64/68/1178946468.db2.gz CFQXTZZRDNAYBK-KRWDZBQOSA-N 2 0 346.450 2.120 10 30 EEEERP C=C(Br)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001268499309 1183028871 /nfs/dbraw/zinc/02/88/71/1183028871.db2.gz JKHCJPIDRNMKBK-AWEZNQCLSA-N 2 0 346.313 2.208 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC001268798768 1183719429 /nfs/dbraw/zinc/71/94/29/1183719429.db2.gz NMRODZPHIKCBSC-SFHVURJKSA-N 2 0 349.425 2.001 10 30 EEEERP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001269472243 1184292323 /nfs/dbraw/zinc/29/23/23/1184292323.db2.gz YFQYFLMIHBPSRF-OTWHNJEPSA-N 2 0 329.488 2.392 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001271424346 1186209996 /nfs/dbraw/zinc/20/99/96/1186209996.db2.gz CZLXSAXCBVOMDG-AZUAARDMSA-N 2 0 341.499 2.011 10 30 EEEERP C#CCC[N@@H+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001271772094 1186473575 /nfs/dbraw/zinc/47/35/75/1186473575.db2.gz JYWGLNLVWXGUNL-IBGZPJMESA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+][C@H](C)CCC=C)CC1 ZINC001671383959 1187160573 /nfs/dbraw/zinc/16/05/73/1187160573.db2.gz HWQRNKZADIJCCT-IEBWSBKVSA-N 2 0 331.504 2.267 10 30 EEEERP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@H]21 ZINC001482663145 1187507151 /nfs/dbraw/zinc/50/71/51/1187507151.db2.gz OKAZWEXIUQHMGG-RTBURBONSA-N 2 0 333.520 2.445 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482888363 1187814443 /nfs/dbraw/zinc/81/44/43/1187814443.db2.gz JKZFCZCQAGNQDT-GDBMZVCRSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001670984511 1193538333 /nfs/dbraw/zinc/53/83/33/1193538333.db2.gz AGURYKSEOMJSAD-HXUWFJFHSA-N 2 0 345.531 2.443 10 30 EEEERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001409427669 1189661397 /nfs/dbraw/zinc/66/13/97/1189661397.db2.gz XYKXXHCAFSQBRI-UONOGXRCSA-N 2 0 346.450 2.022 10 30 EEEERP C=CCOCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001483616462 1190591838 /nfs/dbraw/zinc/59/18/38/1190591838.db2.gz SBJNKCZCGDNRSC-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C=CCOCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001483967979 1191135600 /nfs/dbraw/zinc/13/56/00/1191135600.db2.gz RGCAWLIHJQIPHO-ROUUACIJSA-N 2 0 349.519 2.177 10 30 EEEERP C=CCC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCOCC1 ZINC001484189520 1191265343 /nfs/dbraw/zinc/26/53/43/1191265343.db2.gz OIERLUXGNKNVSI-QGZVFWFLSA-N 2 0 337.508 2.082 10 30 EEEERP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C2 ZINC001484391008 1191325503 /nfs/dbraw/zinc/32/55/03/1191325503.db2.gz HHQBUQRMJKPLEZ-FKSLSLAPSA-N 2 0 331.504 2.242 10 30 EEEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001484560935 1191416263 /nfs/dbraw/zinc/41/62/63/1191416263.db2.gz JMEOSPXPHDKSTN-MRXNPFEDSA-N 2 0 327.472 2.319 10 30 EEEERP C#CCC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001484820793 1191540134 /nfs/dbraw/zinc/54/01/34/1191540134.db2.gz FSMKXNBXLOWNFY-LJQANCHMSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001486234969 1193787553 /nfs/dbraw/zinc/78/75/53/1193787553.db2.gz PFZOCKDTVROQJZ-ZWKOTPCHSA-N 2 0 331.504 2.243 10 30 EEEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCO1 ZINC001273321861 1198126534 /nfs/dbraw/zinc/12/65/34/1198126534.db2.gz ACYNWJADHIYGCI-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001273433885 1198915905 /nfs/dbraw/zinc/91/59/05/1198915905.db2.gz GCHWNJHKVPKVSR-IBGZPJMESA-N 2 0 347.478 2.202 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1cc(C#N)ccc1F)C(C)(C)C ZINC001411225800 1198936305 /nfs/dbraw/zinc/93/63/05/1198936305.db2.gz RVMGDAADNIEVNY-QGZVFWFLSA-N 2 0 348.466 2.270 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000876768191 1199765751 /nfs/dbraw/zinc/76/57/51/1199765751.db2.gz SLXAIROEAIZKCE-CYBMUJFWSA-N 2 0 325.840 2.344 10 30 EEEERP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@H+]1C)CCO2 ZINC001274863587 1205192128 /nfs/dbraw/zinc/19/21/28/1205192128.db2.gz YPKFVKDWNMKIAG-SFHVURJKSA-N 2 0 349.519 2.130 10 30 EEEERP CC1(C)C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]([NH3+])C1 ZINC000925650511 1206139753 /nfs/dbraw/zinc/13/97/53/1206139753.db2.gz PNTQVESSGWIPBG-SQNIBIBYSA-N 2 0 340.471 2.155 10 30 EEEERP O=C(C#CC1CC[NH2+]CC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000852886517 1292225668 /nfs/dbraw/zinc/22/56/68/1292225668.db2.gz OLTSSFRRZWDIFN-UHFFFAOYSA-N 2 0 331.504 2.104 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)CC1 ZINC001120028259 1309288475 /nfs/dbraw/zinc/28/84/75/1309288475.db2.gz ZKTFOYCUSJAJHD-YQVWRLOYSA-N 2 0 348.535 2.399 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1)C(C)C ZINC001120571026 1309616535 /nfs/dbraw/zinc/61/65/35/1309616535.db2.gz XDWFYJGAKDDTII-RCCFBDPRSA-N 2 0 336.524 2.311 10 30 EEEERP CC#CC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC001278690338 1317745509 /nfs/dbraw/zinc/74/55/09/1317745509.db2.gz PKGPMUZQHLPHAL-SFHVURJKSA-N 2 0 327.472 2.212 10 30 EEEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001264549868 1322730001 /nfs/dbraw/zinc/73/00/01/1322730001.db2.gz UTLDDDIDIKBBIS-GGPKGHCWSA-N 2 0 345.531 2.491 10 30 EEEERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1CC)[NH+](C)C ZINC001264623973 1322753445 /nfs/dbraw/zinc/75/34/45/1322753445.db2.gz WEZQHRFVHBZLAA-ZCNNSNEGSA-N 2 0 341.499 2.347 10 30 EEEERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC001265000680 1322846572 /nfs/dbraw/zinc/84/65/72/1322846572.db2.gz AYMYBYXVEUGYJG-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001265368676 1323102415 /nfs/dbraw/zinc/10/24/15/1323102415.db2.gz VXTMPYQHGBQKFZ-RTBURBONSA-N 2 0 331.504 2.291 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266007209 1323560986 /nfs/dbraw/zinc/56/09/86/1323560986.db2.gz VJKMYHNNVROSRH-UYAOXDASSA-N 2 0 341.499 2.349 10 30 EEEERP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001266232208 1323812552 /nfs/dbraw/zinc/81/25/52/1323812552.db2.gz UNTUJZIFWTZACY-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001266232207 1323813491 /nfs/dbraw/zinc/81/34/91/1323813491.db2.gz UNTUJZIFWTZACY-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP CC[C@H](C(=O)NCC1=CCN(CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001279581343 1323945950 /nfs/dbraw/zinc/94/59/50/1323945950.db2.gz DHQWSXOHZLQECB-HXUWFJFHSA-N 2 0 339.483 2.127 10 30 EEEERP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001282964351 1325857427 /nfs/dbraw/zinc/85/74/27/1325857427.db2.gz GYLNXTFFDXYMGU-MRXNPFEDSA-N 2 0 325.472 2.167 10 30 EEEERP CC#CC[N@H+](C)C1CCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001283332338 1326015145 /nfs/dbraw/zinc/01/51/45/1326015145.db2.gz XVOSXMKLNOMXLS-UHFFFAOYSA-N 2 0 341.499 2.107 10 30 EEEERP C[C@@H]1[C@H]([NH2+]CC#Cc2cccc(Cl)c2)CCN1C(=O)CC[NH+](C)C ZINC001283898279 1326308358 /nfs/dbraw/zinc/30/83/58/1326308358.db2.gz IILZDURFFKNPLX-CRAIPNDOSA-N 2 0 347.890 2.222 10 30 EEEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001284374735 1326526356 /nfs/dbraw/zinc/52/63/56/1326526356.db2.gz RTAQDCHNBQKRQO-CABCVRRESA-N 2 0 347.425 2.275 10 30 EEEERP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001284725856 1326683794 /nfs/dbraw/zinc/68/37/94/1326683794.db2.gz JMDLIQUSQJHBDI-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP C=CCOCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001318437635 1332534311 /nfs/dbraw/zinc/53/43/11/1332534311.db2.gz RWRWAFCBCBXLRE-LJQANCHMSA-N 2 0 345.487 2.097 10 30 EEEERP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001319038668 1332640239 /nfs/dbraw/zinc/64/02/39/1332640239.db2.gz SYWKNQMZGXJGJI-MOPGFXCFSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001319697163 1332745147 /nfs/dbraw/zinc/74/51/47/1332745147.db2.gz RWXDQTPPWOICRZ-PXNSSMCTSA-N 2 0 341.499 2.254 10 30 EEEERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001319859844 1332786143 /nfs/dbraw/zinc/78/61/43/1332786143.db2.gz CBQNASRFIKSKNB-QUCCMNQESA-N 2 0 341.499 2.207 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320550505 1332908170 /nfs/dbraw/zinc/90/81/70/1332908170.db2.gz XOJFSNFHMOYPES-GJZGRUSLSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001321992887 1333192336 /nfs/dbraw/zinc/19/23/36/1333192336.db2.gz ZHSLGYKYXDERBC-UHOSZYNNSA-N 2 0 329.488 2.392 10 30 EEEERP C=CCCC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001323542227 1333485514 /nfs/dbraw/zinc/48/55/14/1333485514.db2.gz NHHJERVHNCKWBV-GOSISDBHSA-N 2 0 325.472 2.404 10 30 EEEERP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001324645196 1333730427 /nfs/dbraw/zinc/73/04/27/1333730427.db2.gz BPKZVWFRSDLISX-ROUUACIJSA-N 2 0 325.472 2.356 10 30 EEEERP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001325056387 1333820596 /nfs/dbraw/zinc/82/05/96/1333820596.db2.gz ZANYNGZVMAWAND-JKSUJKDBSA-N 2 0 343.462 2.368 10 30 EEEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001326467127 1334099407 /nfs/dbraw/zinc/09/94/07/1334099407.db2.gz FJSQZIKVQUMJHE-GPMSIDNRSA-N 2 0 327.472 2.317 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCO1 ZINC001327035043 1334208373 /nfs/dbraw/zinc/20/83/73/1334208373.db2.gz NBYJCJQQHBMSNJ-MSOLQXFVSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH2+]C1(CC)CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001327467595 1334297539 /nfs/dbraw/zinc/29/75/39/1334297539.db2.gz PHMHKIJUUMCBQT-UHFFFAOYSA-N 2 0 341.499 2.398 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001329197537 1334604459 /nfs/dbraw/zinc/60/44/59/1334604459.db2.gz VQPSNDHZVLBIET-CVEARBPZSA-N 2 0 347.890 2.270 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001502546236 1342208767 /nfs/dbraw/zinc/20/87/67/1342208767.db2.gz QCSNYSXXPQYPJO-KRWDZBQOSA-N 2 0 339.911 2.395 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001566909560 1342650620 /nfs/dbraw/zinc/65/06/20/1342650620.db2.gz ZXRTZNDCSPQUFX-FQEVSTJZSA-N 2 0 341.499 2.208 10 30 EEEERP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CC#Cc3ccccc3)CC2)C1 ZINC001566991144 1342674531 /nfs/dbraw/zinc/67/45/31/1342674531.db2.gz JRTIQWXYTKESGE-XEVCZEQESA-N 2 0 339.483 2.007 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001569828843 1342954252 /nfs/dbraw/zinc/95/42/52/1342954252.db2.gz PIRUXDBFUSNSOI-LPHOPBHVSA-N 2 0 327.472 2.212 10 30 EEEERP C=CCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001570924776 1343141207 /nfs/dbraw/zinc/14/12/07/1343141207.db2.gz TWMKFAQDPZGFIP-NNIGNNQHSA-N 2 0 333.520 2.367 10 30 EEEERP C#CCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001657101805 1354325794 /nfs/dbraw/zinc/32/57/94/1354325794.db2.gz HVFZKJXNWWWHBU-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH2+]C[C@]1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC[C@H]1C ZINC001666061667 1355437275 /nfs/dbraw/zinc/43/72/75/1355437275.db2.gz JDLUNLWUFTXWQA-YLJYHZDGSA-N 2 0 333.520 2.395 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001667346393 1355716685 /nfs/dbraw/zinc/71/66/85/1355716685.db2.gz QMWUQKOYIVATFV-HKUYNNGSSA-N 2 0 333.520 2.347 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001668092143 1355868616 /nfs/dbraw/zinc/86/86/16/1355868616.db2.gz KASGYBGSXGFOOM-OAHLLOKOSA-N 2 0 328.460 2.027 10 30 EEEERP C=C(Br)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001668426372 1355939097 /nfs/dbraw/zinc/93/90/97/1355939097.db2.gz HYKRYYJUMWSQSD-CQSZACIVSA-N 2 0 346.313 2.206 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CCCCC)C2)CC1 ZINC001671816649 1356421320 /nfs/dbraw/zinc/42/13/20/1356421320.db2.gz YRVQXPWFKDMUNO-HXUWFJFHSA-N 2 0 333.520 2.350 10 30 EEEERP CN(CCC[N@H+](C)CC#Cc1ccccc1)C(=O)[C@H]1CCCC[NH+]1C ZINC001673450846 1356692404 /nfs/dbraw/zinc/69/24/04/1356692404.db2.gz ZPPIGDPRRPVZQU-HXUWFJFHSA-N 2 0 341.499 2.303 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001674481687 1356844260 /nfs/dbraw/zinc/84/42/60/1356844260.db2.gz YLYXBTQTGZPITD-LPHOPBHVSA-N 2 0 337.483 2.145 10 30 EEEERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001674554947 1356858186 /nfs/dbraw/zinc/85/81/86/1356858186.db2.gz VSEGLNHFZALALN-MHJFOBGBSA-N 2 0 341.499 2.109 10 30 EEEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000939147481 775690459 /nfs/dbraw/zinc/69/04/59/775690459.db2.gz OMCKKNYNNLXAQM-QFBILLFUSA-N 2 0 329.488 2.417 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC000939810348 777426615 /nfs/dbraw/zinc/42/66/15/777426615.db2.gz LTKRBJUWOUZAJG-XLIONFOSSA-N 2 0 345.531 2.348 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)CC1(C)C ZINC000940811186 779355330 /nfs/dbraw/zinc/35/53/30/779355330.db2.gz BSTILCZKORATKA-HPRJGHKQSA-N 2 0 337.895 2.053 10 30 EEEERP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940971847 779594402 /nfs/dbraw/zinc/59/44/02/779594402.db2.gz DPEVNCKCHVORNV-ZWKOTPCHSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(C[NH+](C)C)C(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC000911567339 787543174 /nfs/dbraw/zinc/54/31/74/787543174.db2.gz ASNPUHUQUJTTFX-RTBURBONSA-N 2 0 327.472 2.372 10 30 EEEERP CCc1nc(CNC(=[NH+]C)N2CC[C@@H](C[NH+]3CCCC3)C2)cs1 ZINC000152075990 794510368 /nfs/dbraw/zinc/51/03/68/794510368.db2.gz LUNYLTMESYQGMN-AWEZNQCLSA-N 2 0 335.521 2.199 10 30 EEEERP C[C@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436677550 1088125009 /nfs/dbraw/zinc/12/50/09/1088125009.db2.gz ZTXWJBRIAUCPPL-LPHOPBHVSA-N 2 0 342.487 2.369 10 30 EEEERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001438300414 1090780185 /nfs/dbraw/zinc/78/01/85/1090780185.db2.gz PFFVLZYNWCXROA-KBRIMQKVSA-N 2 0 346.450 2.022 10 30 EEEERP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001438310936 1090789569 /nfs/dbraw/zinc/78/95/69/1090789569.db2.gz NCTSQWADWLEMBX-RTBURBONSA-N 2 0 342.487 2.417 10 30 EEEERP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001438551125 1091043105 /nfs/dbraw/zinc/04/31/05/1091043105.db2.gz YUINHYDTMNINNB-KBXCAEBGSA-N 2 0 348.466 2.125 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001445660129 1091448242 /nfs/dbraw/zinc/44/82/42/1091448242.db2.gz VWLMMWYMIPUPID-KSSFIOAISA-N 2 0 346.450 2.166 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001439895344 1092955008 /nfs/dbraw/zinc/95/50/08/1092955008.db2.gz XFUCGQYEUYVUIL-DOTOQJQBSA-N 2 0 327.900 2.442 10 30 EEEERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001440380427 1093549853 /nfs/dbraw/zinc/54/98/53/1093549853.db2.gz BPYLHNSTTGDNBC-RHSMWYFYSA-N 2 0 348.516 2.431 10 30 EEEERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2 ZINC001449004021 1094002349 /nfs/dbraw/zinc/00/23/49/1094002349.db2.gz DDVMEUCXHSKJQO-QUCCMNQESA-N 2 0 340.471 2.123 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001480085540 1099637558 /nfs/dbraw/zinc/63/75/58/1099637558.db2.gz QPZWCKJBNCSLCT-OALUTQOASA-N 2 0 333.520 2.443 10 30 EEEERP C#CCC[NH+]1CCC(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001495520339 1101233407 /nfs/dbraw/zinc/23/34/07/1101233407.db2.gz KDWFQDAWYOSSAJ-UHFFFAOYSA-N 2 0 331.504 2.104 10 30 EEEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001494146808 1103601306 /nfs/dbraw/zinc/60/13/06/1103601306.db2.gz CMMGUWKSDMPXSN-KRWDZBQOSA-N 2 0 329.488 2.371 10 30 EEEERP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001480663461 1106840852 /nfs/dbraw/zinc/84/08/52/1106840852.db2.gz HPKVZXBRMNRQGW-WOJBJXKFSA-N 2 0 341.499 2.062 10 30 EEEERP CN(CCC[NH2+]CC#Cc1ccccc1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001498561039 1107724333 /nfs/dbraw/zinc/72/43/33/1107724333.db2.gz XWPJZCHJEDXZQR-HXUWFJFHSA-N 2 0 341.499 2.351 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1F ZINC001493569239 1108333617 /nfs/dbraw/zinc/33/36/17/1108333617.db2.gz IYHQDOFIUWGPMD-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC001467727532 1110462511 /nfs/dbraw/zinc/46/25/11/1110462511.db2.gz KIGBMOOKLBJZCZ-IBGZPJMESA-N 2 0 344.503 2.260 10 30 EEEERP C[NH+](C)CCCC(=O)NCC1([NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001499330936 1112236657 /nfs/dbraw/zinc/23/66/57/1112236657.db2.gz XWQJYGAZDMGCIL-UHFFFAOYSA-N 2 0 347.890 2.272 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCCCCF)CC1 ZINC001499955637 1112554709 /nfs/dbraw/zinc/55/47/09/1112554709.db2.gz VSMOQHAMQNPFNI-SFHVURJKSA-N 2 0 337.483 2.052 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CC2CC2)CC1 ZINC001500054851 1112595248 /nfs/dbraw/zinc/59/52/48/1112595248.db2.gz WHFRDCQKHKHCFH-UYAOXDASSA-N 2 0 345.531 2.443 10 30 EEEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001505397007 1113935016 /nfs/dbraw/zinc/93/50/16/1113935016.db2.gz ZMQYMTAJIZODBQ-IBGZPJMESA-N 2 0 333.520 2.465 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001505850309 1114232486 /nfs/dbraw/zinc/23/24/86/1114232486.db2.gz RDQMKEPYKGLSDZ-UHFFFAOYSA-N 2 0 344.503 2.473 10 30 EEEERP C#CC[NH2+][C@@H](CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001506488516 1114644932 /nfs/dbraw/zinc/64/49/32/1114644932.db2.gz YVBDFLLVZHSYAZ-IBGZPJMESA-N 2 0 333.520 2.204 10 30 EEEERP CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001507036331 1115072857 /nfs/dbraw/zinc/07/28/57/1115072857.db2.gz VZYJSENWDKSCAW-UXHICEINSA-N 2 0 341.499 2.205 10 30 EEEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001507101287 1115108788 /nfs/dbraw/zinc/10/87/88/1115108788.db2.gz RFDGONFUPJPPBI-OAHLLOKOSA-N 2 0 327.432 2.284 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C(F)(F)F ZINC001507458771 1115281556 /nfs/dbraw/zinc/28/15/56/1115281556.db2.gz UDTMZBXLCYENRD-CABCVRRESA-N 2 0 347.425 2.275 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CCCC=C)CC2)CC1 ZINC001508230883 1115455523 /nfs/dbraw/zinc/45/55/23/1115455523.db2.gz UZUJGQJTWKRTKS-UHFFFAOYSA-N 2 0 329.488 2.046 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH2+]CCC)cc2F)CC1 ZINC001508242184 1115458083 /nfs/dbraw/zinc/45/80/83/1115458083.db2.gz MWNIWOSNYOQIDQ-UHFFFAOYSA-N 2 0 345.462 2.287 10 30 EEEERP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CCC[NH+]1C ZINC000329166357 465253974 /nfs/dbraw/zinc/25/39/74/465253974.db2.gz HSBLTSTYTDXLHW-JCGIZDLHSA-N 2 0 345.491 2.386 10 30 EEEERP OC1CCC(NC(NCC[NH+]2CCCC2)=[NH+]C2CCCCC2)CC1 ZINC000073400833 463610410 /nfs/dbraw/zinc/61/04/10/463610410.db2.gz HUOGLZYVCZYDCQ-UHFFFAOYSA-N 2 0 336.524 2.254 10 30 EEEERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C#N ZINC000179213185 464082968 /nfs/dbraw/zinc/08/29/68/464082968.db2.gz CVALNGNEKOULOW-HNNXBMFYSA-N 2 0 331.460 2.091 10 30 EEEERP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000348894718 465862356 /nfs/dbraw/zinc/86/23/56/465862356.db2.gz PBCOZNDOWUGSSY-UHFFFAOYSA-N 2 0 346.475 2.211 10 30 EEEERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000374100295 467001586 /nfs/dbraw/zinc/00/15/86/467001586.db2.gz SFPAGUUYNOXVDI-IBGZPJMESA-N 2 0 348.535 2.189 10 30 EEEERP C[C@H](c1cccc(C#N)c1)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000425538932 467106957 /nfs/dbraw/zinc/10/69/57/467106957.db2.gz SURSIJKZSJICRW-OAHLLOKOSA-N 2 0 340.471 2.294 10 30 EEEERP CC(C)[NH+](CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C(C)C ZINC000600730405 468639742 /nfs/dbraw/zinc/63/97/42/468639742.db2.gz OUNPWZQQCCAJJI-KRWDZBQOSA-N 2 0 325.497 2.156 10 30 EEEERP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1(C)C ZINC000598961090 469068839 /nfs/dbraw/zinc/06/88/39/469068839.db2.gz IBBXCDOUOZULOD-QGZVFWFLSA-N 2 0 327.476 2.384 10 30 EEEERP C[N@H+](C[C@@H](O)CC1(C#N)CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302799 469200717 /nfs/dbraw/zinc/20/07/17/469200717.db2.gz KIIUADKVJSFZRZ-OALUTQOASA-N 2 0 327.472 2.495 10 30 EEEERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000596655319 469324062 /nfs/dbraw/zinc/32/40/62/469324062.db2.gz UVQNWLLHZYDQRM-AWEZNQCLSA-N 2 0 346.450 2.339 10 30 EEEERP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000262022508 682877768 /nfs/dbraw/zinc/87/77/68/682877768.db2.gz ZBIZJHYAFOWEPY-QXDIGNSFSA-N 2 0 348.535 2.228 10 30 EEEERP C#CC1(O)CC[NH+](Cc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000895383395 684567410 /nfs/dbraw/zinc/56/74/10/684567410.db2.gz UVEWDYVVHZRFNK-UHFFFAOYSA-N 2 0 341.499 2.179 10 30 EEEERP C[NH+](C)Cc1ccc(-c2noc(C3CC4(C3)C[NH2+]C[C@@H]4C#N)n2)cc1 ZINC000904081332 694286611 /nfs/dbraw/zinc/28/66/11/694286611.db2.gz DZLTXQKXHYEART-WUJZJPHMSA-N 2 0 337.427 2.405 10 30 EEEERP C[NH+]=C(NCc1ccon1)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000095974951 692892930 /nfs/dbraw/zinc/89/29/30/692892930.db2.gz JMNHYXFXVFPSGP-SFHVURJKSA-N 2 0 341.459 2.047 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC/C=C\CCC)C2)CC1 ZINC001266567945 1176861353 /nfs/dbraw/zinc/86/13/53/1176861353.db2.gz YWMMIVUUFSDBGF-RURPWVQCSA-N 2 0 331.504 2.269 10 30 EEEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750947515 1178621830 /nfs/dbraw/zinc/62/18/30/1178621830.db2.gz YXLBEMQBGNIHNO-JKSUJKDBSA-N 2 0 327.488 2.459 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001267356213 1178817405 /nfs/dbraw/zinc/81/74/05/1178817405.db2.gz CHXZPACWYKKYMB-OALUTQOASA-N 2 0 327.472 2.330 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)CCC[NH+]1CCCC1)c1ccccc1 ZINC001267382997 1178939234 /nfs/dbraw/zinc/93/92/34/1178939234.db2.gz WRNRBUISTYMKTI-LJQANCHMSA-N 2 0 327.472 2.333 10 30 EEEERP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001267602629 1179664140 /nfs/dbraw/zinc/66/41/40/1179664140.db2.gz HTCFEZJRBJQYSH-RBUKOAKNSA-N 2 0 331.504 2.197 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001482109547 1183339816 /nfs/dbraw/zinc/33/98/16/1183339816.db2.gz GLDULSWLRYQVLG-HKUYNNGSSA-N 2 0 345.531 2.396 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001268716725 1183636229 /nfs/dbraw/zinc/63/62/29/1183636229.db2.gz JKCCYJZRDRYABJ-JKSUJKDBSA-N 2 0 345.462 2.326 10 30 EEEERP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001269743091 1184581927 /nfs/dbraw/zinc/58/19/27/1184581927.db2.gz XLGYZUMWUISCAL-HXUWFJFHSA-N 2 0 333.520 2.446 10 30 EEEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001284738501 1184754002 /nfs/dbraw/zinc/75/40/02/1184754002.db2.gz YZRQPCZGWAIZTG-UONOGXRCSA-N 2 0 335.414 2.273 10 30 EEEERP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001270346004 1185035251 /nfs/dbraw/zinc/03/52/51/1185035251.db2.gz WGHGAYVBCIWUFH-MSOLQXFVSA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccccc2F)CC1 ZINC001482368688 1185531067 /nfs/dbraw/zinc/53/10/67/1185531067.db2.gz RCIWWTBOSLFRTG-INIZCTEOSA-N 2 0 345.462 2.107 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483226750 1189479037 /nfs/dbraw/zinc/47/90/37/1189479037.db2.gz HYEFHUKMZPWXCW-BBRMVZONSA-N 2 0 334.489 2.087 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC001486096761 1193679918 /nfs/dbraw/zinc/67/99/18/1193679918.db2.gz RWOJRKNUZPNBLL-NVXWUHKLSA-N 2 0 331.460 2.337 10 30 EEEERP CC1CC[NH+](CC(=O)NCC2([NH2+]CC#Cc3ccccc3)CC2)CC1 ZINC001483778830 1191023594 /nfs/dbraw/zinc/02/35/94/1191023594.db2.gz LSGWWLMQEAWKLZ-UHFFFAOYSA-N 2 0 339.483 2.008 10 30 EEEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001483818261 1191046903 /nfs/dbraw/zinc/04/69/03/1191046903.db2.gz HNVZYKFSPGLDAO-IBGZPJMESA-N 2 0 333.520 2.299 10 30 EEEERP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](CCCC=C)CC1 ZINC001483987674 1191143448 /nfs/dbraw/zinc/14/34/48/1191143448.db2.gz ZIKDMHWSJBBUJT-SFHVURJKSA-N 2 0 331.504 2.221 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484344300 1191312362 /nfs/dbraw/zinc/31/23/62/1191312362.db2.gz UUTICFSVZKYNSS-CABCVRRESA-N 2 0 327.900 2.440 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001484356289 1191316518 /nfs/dbraw/zinc/31/65/18/1191316518.db2.gz BYMKXGXNWWGGST-ICSRJNTNSA-N 2 0 341.499 2.205 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485081583 1191650496 /nfs/dbraw/zinc/65/04/96/1191650496.db2.gz GBAZPRALBHTHNX-HZPDHXFCSA-N 2 0 327.900 2.251 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001485217476 1191689595 /nfs/dbraw/zinc/68/95/95/1191689595.db2.gz SCPAIUALYOQSTN-ZIAGYGMSSA-N 2 0 334.439 2.022 10 30 EEEERP CC(C)(C)[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001411227563 1198937959 /nfs/dbraw/zinc/93/79/59/1198937959.db2.gz WIHAZZGPZBVGMQ-SFHVURJKSA-N 2 0 342.487 2.275 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000876754567 1199757986 /nfs/dbraw/zinc/75/79/86/1199757986.db2.gz SRBIKEUMBZZPRD-MRXNPFEDSA-N 2 0 339.867 2.103 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353898 1199911846 /nfs/dbraw/zinc/91/18/46/1199911846.db2.gz WDHGABGYPMSJQP-JENIJYKNSA-N 2 0 347.890 2.437 10 30 EEEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001490829973 1205915983 /nfs/dbraw/zinc/91/59/83/1205915983.db2.gz BFWMXTQMTOJMHA-SJORKVTESA-N 2 0 330.476 2.382 10 30 EEEERP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(c3ccc(C#N)cn3)CC1)[NH2+]2 ZINC000925607185 1206135017 /nfs/dbraw/zinc/13/50/17/1206135017.db2.gz AISGUGZHYKIPEB-VIBAHUMZSA-N 2 0 325.460 2.041 10 30 EEEERP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925855465 1206161671 /nfs/dbraw/zinc/16/16/71/1206161671.db2.gz PHOQEENMVJADOJ-QAPCUYQASA-N 2 0 342.439 2.035 10 30 EEEERP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@]2(C)C1 ZINC000933739865 1207830941 /nfs/dbraw/zinc/83/09/41/1207830941.db2.gz ITXHTDSWRSJPNA-KDOFPFPSSA-N 2 0 346.862 2.424 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037119460 1213851463 /nfs/dbraw/zinc/85/14/63/1213851463.db2.gz CSQYWLWMDBQHGW-PMACEKPBSA-N 2 0 345.531 2.396 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001273610849 1281138832 /nfs/dbraw/zinc/13/88/32/1281138832.db2.gz QYZCPZQCMSCGDO-UHFFFAOYSA-N 2 0 344.503 2.474 10 30 EEEERP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC[NH+]1CCCCC1)O2 ZINC001273675386 1282986763 /nfs/dbraw/zinc/98/67/63/1282986763.db2.gz HDVYDQNLKUGVST-GOSISDBHSA-N 2 0 349.519 2.178 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001273771146 1285326930 /nfs/dbraw/zinc/32/69/30/1285326930.db2.gz ABSDRLZYSDNANH-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C=CC[C@@H](CO)C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001201761717 1289747849 /nfs/dbraw/zinc/74/78/49/1289747849.db2.gz UFDRSQFTYUROJJ-GFCCVEGCSA-N 2 0 342.386 2.344 10 30 EEEERP CN1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000852886939 1292225838 /nfs/dbraw/zinc/22/58/38/1292225838.db2.gz ZZUMEGVNWIQBKE-HKUYNNGSSA-N 2 0 345.874 2.204 10 30 EEEERP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001278157701 1306134951 /nfs/dbraw/zinc/13/49/51/1306134951.db2.gz TYZRIQKREZWVRW-UHFFFAOYSA-N 2 0 345.531 2.443 10 30 EEEERP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278747708 1317957577 /nfs/dbraw/zinc/95/75/77/1317957577.db2.gz RZYOEZDSBZJABU-HUUCEWRRSA-N 2 0 331.451 2.366 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)c2ccc([C@H]3CCCC[NH2+]3)n2C)CC1 ZINC001263100675 1322433829 /nfs/dbraw/zinc/43/38/29/1322433829.db2.gz UPGJMBPRVZRXKT-MRXNPFEDSA-N 2 0 330.476 2.220 10 30 EEEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001263997980 1322581057 /nfs/dbraw/zinc/58/10/57/1322581057.db2.gz LTAFUYRYIKRUSH-MJGOQNOKSA-N 2 0 333.520 2.491 10 30 EEEERP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001264437242 1322701701 /nfs/dbraw/zinc/70/17/01/1322701701.db2.gz XOPDBNPFHHSQEL-BHIYHBOVSA-N 2 0 345.462 2.002 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)cc1 ZINC001264993440 1322842352 /nfs/dbraw/zinc/84/23/52/1322842352.db2.gz MGBOQZYVKFSEJD-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001265811004 1323393178 /nfs/dbraw/zinc/39/31/78/1323393178.db2.gz KICVFZBZNGDUNZ-YJBOKZPZSA-N 2 0 347.890 2.270 10 30 EEEERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001492083646 1330991340 /nfs/dbraw/zinc/99/13/40/1330991340.db2.gz MGEZPASFHDTEKR-LSDHHAIUSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001316683277 1331320003 /nfs/dbraw/zinc/32/00/03/1331320003.db2.gz QUYMWTPDIUQZRT-GDBMZVCRSA-N 2 0 339.911 2.442 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001317994727 1332459606 /nfs/dbraw/zinc/45/96/06/1332459606.db2.gz WPKWSYJSZVRQQY-VOFKWLDRSA-N 2 0 331.504 2.269 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319285714 1332675611 /nfs/dbraw/zinc/67/56/11/1332675611.db2.gz PHXZTEUTMJGZHL-AZUAARDMSA-N 2 0 341.499 2.254 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001320444981 1332885215 /nfs/dbraw/zinc/88/52/15/1332885215.db2.gz DJBCIWBERRMCJE-CQSZACIVSA-N 2 0 346.450 2.166 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001320612564 1332920629 /nfs/dbraw/zinc/92/06/29/1332920629.db2.gz BVJYFKRHQZBPCQ-CJNGLKHVSA-N 2 0 336.505 2.190 10 30 EEEERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC#Cc2ccc(Cl)cc2)CC1 ZINC001323613727 1333497985 /nfs/dbraw/zinc/49/79/85/1333497985.db2.gz JTAJZWRYKSOQCW-UHFFFAOYSA-N 2 0 345.874 2.026 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001324412447 1333677588 /nfs/dbraw/zinc/67/75/88/1333677588.db2.gz AULZFXIBFNWANG-IEBWSBKVSA-N 2 0 331.504 2.362 10 30 EEEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001324440473 1333684116 /nfs/dbraw/zinc/68/41/16/1333684116.db2.gz WXYZKPDQYPDRDG-DOTOQJQBSA-N 2 0 325.472 2.001 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](NC(=O)CN(C)Cc2ccccc2)C(C)(C)C1 ZINC001328112673 1334398879 /nfs/dbraw/zinc/39/88/79/1334398879.db2.gz GRGRWBMHUBFRIB-LJQANCHMSA-N 2 0 341.499 2.358 10 30 EEEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001328749402 1334513614 /nfs/dbraw/zinc/51/36/14/1334513614.db2.gz LYWFHJRFFNVBEG-KRWDZBQOSA-N 2 0 339.443 2.380 10 30 EEEERP C#CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001330207672 1334803765 /nfs/dbraw/zinc/80/37/65/1334803765.db2.gz BIJPLVKOZUZTRO-KRWDZBQOSA-N 2 0 333.520 2.489 10 30 EEEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001331289955 1334991339 /nfs/dbraw/zinc/99/13/39/1334991339.db2.gz OMOFFJPLVZDUSS-MOPGFXCFSA-N 2 0 331.504 2.243 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001567240673 1342715448 /nfs/dbraw/zinc/71/54/48/1342715448.db2.gz NOGAWHRXCUCPFW-LKKYZFDUSA-N 2 0 346.302 2.135 10 30 EEEERP CC#CC[NH+]1CCC(C)(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001569575629 1342900302 /nfs/dbraw/zinc/90/03/02/1342900302.db2.gz YRLAJNZIJXGKFT-IBGZPJMESA-N 2 0 337.483 2.193 10 30 EEEERP CC#CC[NH2+]C1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001571659785 1343264998 /nfs/dbraw/zinc/26/49/98/1343264998.db2.gz AAIVIEAXKMVZHO-UHFFFAOYSA-N 2 0 327.472 2.007 10 30 EEEERP CC(C)[N@@H+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001649440183 1353506072 /nfs/dbraw/zinc/50/60/72/1353506072.db2.gz JXEPGFUQRTVCOD-FQEVSTJZSA-N 2 0 341.499 2.207 10 30 EEEERP C#CCN(C)CCC[NH2+]Cc1ccccc1-n1nnc2ccccc21 ZINC001657452154 1354339740 /nfs/dbraw/zinc/33/97/40/1354339740.db2.gz APASHZZTLZSBOC-UHFFFAOYSA-N 2 0 333.439 2.465 10 30 EEEERP C[N@@H+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001660194089 1354413721 /nfs/dbraw/zinc/41/37/21/1354413721.db2.gz CNAJIBCQDVCKAZ-LJQANCHMSA-N 2 0 345.462 2.100 10 30 EEEERP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001661067945 1354584851 /nfs/dbraw/zinc/58/48/51/1354584851.db2.gz CATRISUKPJPEDL-SFHVURJKSA-N 2 0 345.531 2.493 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001661977030 1354731658 /nfs/dbraw/zinc/73/16/58/1354731658.db2.gz IWMBVIYYTVGGBX-MSOLQXFVSA-N 2 0 331.504 2.197 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001661996688 1354738813 /nfs/dbraw/zinc/73/88/13/1354738813.db2.gz OVXSLHSOEBVMCC-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001662809670 1354851883 /nfs/dbraw/zinc/85/18/83/1354851883.db2.gz VGFCXCLVFPXSRW-FQEVSTJZSA-N 2 0 341.499 2.189 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@H+](Cc2ccccc2)C2CC2)CC1 ZINC001663777081 1355030564 /nfs/dbraw/zinc/03/05/64/1355030564.db2.gz GGANZUODGSWJFZ-UHFFFAOYSA-N 2 0 339.483 2.112 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001667346394 1355716761 /nfs/dbraw/zinc/71/67/61/1355716761.db2.gz QMWUQKOYIVATFV-IEBWSBKVSA-N 2 0 333.520 2.347 10 30 EEEERP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001672538838 1356551090 /nfs/dbraw/zinc/55/10/90/1356551090.db2.gz VDKKAVSIVULOFP-MOPGFXCFSA-N 2 0 349.519 2.129 10 30 EEEERP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001698948370 1405178822 /nfs/dbraw/zinc/17/88/22/1405178822.db2.gz VTKNBMDYJZOLMM-VQIMIIECSA-N 2 0 327.472 2.212 10 30 EEEERP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001698952856 1405183744 /nfs/dbraw/zinc/18/37/44/1405183744.db2.gz MHWUIYMVVUJDDG-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001699113264 1405268647 /nfs/dbraw/zinc/26/86/47/1405268647.db2.gz PJNXHUUZJGYXDP-GOSISDBHSA-N 2 0 339.483 2.151 10 30 EEEERP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940836888 779386838 /nfs/dbraw/zinc/38/68/38/779386838.db2.gz NWWZLEBIMOSSJY-KRWDZBQOSA-N 2 0 331.504 2.102 10 30 EEEERP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940836889 779387026 /nfs/dbraw/zinc/38/70/26/779387026.db2.gz NWWZLEBIMOSSJY-QGZVFWFLSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C(CC)CC)[NH+]2CCCC2)CC1 ZINC000913999241 794717584 /nfs/dbraw/zinc/71/75/84/794717584.db2.gz WDYCEVOMTJQLHJ-IBGZPJMESA-N 2 0 348.535 2.284 10 30 EEEERP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001437949099 1090546016 /nfs/dbraw/zinc/54/60/16/1090546016.db2.gz OITARJHAKAAIMB-RTBURBONSA-N 2 0 342.487 2.227 10 30 EEEERP C=C(Br)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001438777309 1091368969 /nfs/dbraw/zinc/36/89/69/1091368969.db2.gz UNJKHCXUJYHVJZ-OCCSQVGLSA-N 2 0 346.313 2.063 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CC12CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001441147241 1094486472 /nfs/dbraw/zinc/48/64/72/1094486472.db2.gz YTKBPCVUCJCRDO-MRXNPFEDSA-N 2 0 346.500 2.042 10 30 EEEERP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001441311277 1094764621 /nfs/dbraw/zinc/76/46/21/1094764621.db2.gz XRGRJYBNDHTRAG-CVEARBPZSA-N 2 0 327.900 2.394 10 30 EEEERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001441858982 1095958544 /nfs/dbraw/zinc/95/85/44/1095958544.db2.gz JSWODMZVJCHGLY-YOEHRIQHSA-N 2 0 346.450 2.166 10 30 EEEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001480096215 1099658661 /nfs/dbraw/zinc/65/86/61/1099658661.db2.gz OXAXZNTWYUHPRK-BBWFWOEESA-N 2 0 325.472 2.308 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001447627602 1102996441 /nfs/dbraw/zinc/99/64/41/1102996441.db2.gz MJIWHDSBKQLIBH-APWZRJJASA-N 2 0 342.487 2.368 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001494158499 1103617911 /nfs/dbraw/zinc/61/79/11/1103617911.db2.gz AWUDAMIEVPNCAO-LJQANCHMSA-N 2 0 341.499 2.208 10 30 EEEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001480730830 1106993290 /nfs/dbraw/zinc/99/32/90/1106993290.db2.gz MHDBCMYHEGPNJE-RTBURBONSA-N 2 0 331.504 2.340 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001499846700 1112510878 /nfs/dbraw/zinc/51/08/78/1112510878.db2.gz ANGOXQKFNOYHLR-APWZRJJASA-N 2 0 327.472 2.354 10 30 EEEERP C[C@@]1(C[NH2+]Cc2ccc(C#N)s2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001500402570 1112804655 /nfs/dbraw/zinc/80/46/55/1112804655.db2.gz WCBOHACZBNLNBG-SFHVURJKSA-N 2 0 346.500 2.044 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406951 1113671371 /nfs/dbraw/zinc/67/13/71/1113671371.db2.gz WUEBFKXNFMHSLU-RBUKOAKNSA-N 2 0 345.531 2.445 10 30 EEEERP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001506861658 1114927845 /nfs/dbraw/zinc/92/78/45/1114927845.db2.gz WGMRPFPIWVDVEI-XHSDSOJGSA-N 2 0 339.911 2.440 10 30 EEEERP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC001506869071 1114939618 /nfs/dbraw/zinc/93/96/18/1114939618.db2.gz QFXJGHXHGJRWNT-RLLQIKCJSA-N 2 0 333.520 2.465 10 30 EEEERP C=CCCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001506871619 1114942149 /nfs/dbraw/zinc/94/21/49/1114942149.db2.gz AHZVOMJBWNOROJ-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001507360177 1115221151 /nfs/dbraw/zinc/22/11/51/1115221151.db2.gz GELBRVGTXOXZKG-HRCADAONSA-N 2 0 327.900 2.297 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC[NH2+]CCCC)CC2)CC1 ZINC001568097781 1124301430 /nfs/dbraw/zinc/30/14/30/1124301430.db2.gz JVTJDWINVJSDRI-UHFFFAOYSA-N 2 0 333.520 2.350 10 30 EEEERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001568299930 1124410911 /nfs/dbraw/zinc/41/09/11/1124410911.db2.gz HBHVBOWAMPNSEW-QAPCUYQASA-N 2 0 349.906 2.468 10 30 EEEERP C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000261925881 463901086 /nfs/dbraw/zinc/90/10/86/463901086.db2.gz CEQHKFADAZOZMC-QGZVFWFLSA-N 2 0 331.460 2.071 10 30 EEEERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C#N ZINC000179213196 464082848 /nfs/dbraw/zinc/08/28/48/464082848.db2.gz CVALNGNEKOULOW-OAHLLOKOSA-N 2 0 331.460 2.091 10 30 EEEERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435749 468585465 /nfs/dbraw/zinc/58/54/65/468585465.db2.gz JWKHMOPYALTTBQ-KRWDZBQOSA-N 2 0 334.439 2.127 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594441088 468589338 /nfs/dbraw/zinc/58/93/38/468589338.db2.gz MMDSUNHUAZVVTO-RTBURBONSA-N 2 0 342.487 2.426 10 30 EEEERP C=CC[C@]1(C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)CCC[NH2+]1 ZINC000662726458 472223863 /nfs/dbraw/zinc/22/38/63/472223863.db2.gz PZUVEXSUVTTXSO-HXUWFJFHSA-N 2 0 349.519 2.225 10 30 EEEERP C=CC[C@]1(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCC[NH2+]1 ZINC000662749745 472233532 /nfs/dbraw/zinc/23/35/32/472233532.db2.gz PPZIOYLPJWMKQC-HXUWFJFHSA-N 2 0 349.519 2.084 10 30 EEEERP C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000089062076 526389058 /nfs/dbraw/zinc/38/90/58/526389058.db2.gz OWASONRWMWHTQT-CQSZACIVSA-N 2 0 335.521 2.442 10 30 EEEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001485815306 1191979211 /nfs/dbraw/zinc/97/92/11/1191979211.db2.gz HXSMUIWBFRUGPB-GOSISDBHSA-N 2 0 333.520 2.489 10 30 EEEERP C#CCC[NH+]1CCC(N(CCC)C(=O)CCc2nccn2C)CC1 ZINC001266388752 1176462199 /nfs/dbraw/zinc/46/21/99/1176462199.db2.gz POEMZFWEDJLWIZ-UHFFFAOYSA-N 2 0 330.476 2.079 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001266725581 1177310391 /nfs/dbraw/zinc/31/03/91/1177310391.db2.gz MDRRXEUOHIULSB-HDICACEKSA-N 2 0 347.890 2.270 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001266939299 1177852448 /nfs/dbraw/zinc/85/24/48/1177852448.db2.gz FBMJXBLIUBKXPD-PKOBYXMFSA-N 2 0 327.472 2.005 10 30 EEEERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001267416083 1178988406 /nfs/dbraw/zinc/98/84/06/1178988406.db2.gz CCHYMZXKDKBVRB-IBGZPJMESA-N 2 0 342.487 2.228 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001481494607 1181561875 /nfs/dbraw/zinc/56/18/75/1181561875.db2.gz VPWDVSKEDGIQRQ-PKOBYXMFSA-N 2 0 331.504 2.197 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001481984431 1183086695 /nfs/dbraw/zinc/08/66/95/1183086695.db2.gz MDRYJYYDSUSJSO-MOPGFXCFSA-N 2 0 333.520 2.350 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269800169 1184628572 /nfs/dbraw/zinc/62/85/72/1184628572.db2.gz YZPJPZMTUCAOBH-OALUTQOASA-N 2 0 333.520 2.348 10 30 EEEERP C#CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCC2CC2)CC1 ZINC001270315362 1185010867 /nfs/dbraw/zinc/01/08/67/1185010867.db2.gz MQYTUAZGIIGKCN-HXUWFJFHSA-N 2 0 343.515 2.055 10 30 EEEERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001271183314 1186066884 /nfs/dbraw/zinc/06/68/84/1186066884.db2.gz YKGJEPCJFZPPPX-QFBILLFUSA-N 2 0 347.478 2.200 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482866825 1187786912 /nfs/dbraw/zinc/78/69/12/1187786912.db2.gz ZGYPLZWXOFEWCB-BXWFABGCSA-N 2 0 342.487 2.273 10 30 EEEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001483817098 1191045799 /nfs/dbraw/zinc/04/57/99/1191045799.db2.gz CAZAXLKFGALNQY-UHFFFAOYSA-N 2 0 331.504 2.055 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](CC=C)CC3CC3)CC2)CC1 ZINC001483818074 1191045963 /nfs/dbraw/zinc/04/59/63/1191045963.db2.gz DZGWQPFWVIZDPS-UHFFFAOYSA-N 2 0 343.515 2.221 10 30 EEEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001483986269 1191143015 /nfs/dbraw/zinc/14/30/15/1191143015.db2.gz BCNOBOQCVVRJBS-QRVBRYPASA-N 2 0 345.531 2.301 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001486253167 1193780610 /nfs/dbraw/zinc/78/06/10/1193780610.db2.gz KMELZECLDUFNSW-LSDHHAIUSA-N 2 0 347.425 2.275 10 30 EEEERP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001486480520 1193995112 /nfs/dbraw/zinc/99/51/12/1193995112.db2.gz VARSOWCTWYVTSI-UHFFFAOYSA-N 2 0 345.462 2.098 10 30 EEEERP C=C(CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000875582110 1199306732 /nfs/dbraw/zinc/30/67/32/1199306732.db2.gz JFMYVFCHTBOCHI-RTBURBONSA-N 2 0 344.503 2.081 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000877133514 1199867385 /nfs/dbraw/zinc/86/73/85/1199867385.db2.gz DQXLKRPUNUCFMA-JQFCIGGWSA-N 2 0 335.879 2.341 10 30 EEEERP CC#CC[NH2+]C1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001274356131 1205009410 /nfs/dbraw/zinc/00/94/10/1205009410.db2.gz BNWQNCISKFHZDP-UHFFFAOYSA-N 2 0 341.499 2.398 10 30 EEEERP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001274412104 1205025804 /nfs/dbraw/zinc/02/58/04/1205025804.db2.gz DNXPTSUCURIBBX-NSCUHMNNSA-N 2 0 340.471 2.052 10 30 EEEERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001274412103 1205025919 /nfs/dbraw/zinc/02/59/19/1205025919.db2.gz DNXPTSUCURIBBX-IHWYPQMZSA-N 2 0 340.471 2.052 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001275571647 1205422649 /nfs/dbraw/zinc/42/26/49/1205422649.db2.gz QJKQBRFAQMGQNT-SJORKVTESA-N 2 0 331.504 2.315 10 30 EEEERP C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000934467522 1207967828 /nfs/dbraw/zinc/96/78/28/1207967828.db2.gz OFSLLLBMTYNSCF-BHIYHBOVSA-N 2 0 327.472 2.416 10 30 EEEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2cccc(C)c12 ZINC000303971857 1213933701 /nfs/dbraw/zinc/93/37/01/1213933701.db2.gz FFINMEQGPKXEAD-INIZCTEOSA-N 2 0 327.476 2.407 10 30 EEEERP CC[NH+]=C(NCCOC)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000252512173 1213934106 /nfs/dbraw/zinc/93/41/06/1213934106.db2.gz NOXGRIVEAKWMSG-GOEBONIOSA-N 2 0 338.521 2.333 10 30 EEEERP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001490902669 1254315942 /nfs/dbraw/zinc/31/59/42/1254315942.db2.gz PJOICCFRGJYTJI-IHRRRGAJSA-N 2 0 344.297 2.006 10 30 EEEERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852883920 1292224065 /nfs/dbraw/zinc/22/40/65/1292224065.db2.gz BBVXMXNVDDFKMC-SFHVURJKSA-N 2 0 339.483 2.112 10 30 EEEERP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001278183735 1306207713 /nfs/dbraw/zinc/20/77/13/1306207713.db2.gz BYXOGAXYYBXDGW-LJQANCHMSA-N 2 0 331.504 2.056 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)C(C)C ZINC001120479901 1309571300 /nfs/dbraw/zinc/57/13/00/1309571300.db2.gz DLCUGWCORPPVCB-KZNAEPCWSA-N 2 0 336.524 2.311 10 30 EEEERP 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BVBXYWDWJZNXLZ-RTBURBONSA-N 2 0 333.520 2.491 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001495389104 1101108810 /nfs/dbraw/zinc/10/88/10/1101108810.db2.gz BVBXYWDWJZNXLZ-RBUKOAKNSA-N 2 0 333.520 2.491 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001495394290 1101114857 /nfs/dbraw/zinc/11/48/57/1101114857.db2.gz WVNXIPOOMQQLJY-MOPGFXCFSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC[C@@H](C)F)CCCC2)CC1 ZINC001495964068 1101848623 /nfs/dbraw/zinc/84/86/23/1101848623.db2.gz XNLHZPOKAPJTNV-MRXNPFEDSA-N 2 0 337.483 2.098 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(F)cc2)CC1 ZINC001497331607 1102337361 /nfs/dbraw/zinc/33/73/61/1102337361.db2.gz MWGLXXZVSSHQBA-INIZCTEOSA-N 2 0 345.462 2.155 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)C[N@H+](C)C(C)C ZINC001497501339 1102590634 /nfs/dbraw/zinc/59/06/34/1102590634.db2.gz SVGKPKLDSRWEAK-UHFFFAOYSA-N 2 0 349.906 2.470 10 30 EEEERP C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001447935664 1103639397 /nfs/dbraw/zinc/63/93/97/1103639397.db2.gz SKZZYVDPYUIBOR-IRXDYDNUSA-N 2 0 342.487 2.417 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)C1CC1 ZINC001498874164 1108257403 /nfs/dbraw/zinc/25/74/03/1108257403.db2.gz JTTQPRGQIOUTTG-SFHVURJKSA-N 2 0 346.450 2.022 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001499527425 1112342579 /nfs/dbraw/zinc/34/25/79/1112342579.db2.gz JQISZBUCUNWIHJ-SFHVURJKSA-N 2 0 331.504 2.197 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001500048372 1112592106 /nfs/dbraw/zinc/59/21/06/1112592106.db2.gz JDLXURVQRLQWOZ-WTKPLQERSA-N 2 0 337.895 2.007 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501145584 1113214276 /nfs/dbraw/zinc/21/42/76/1113214276.db2.gz CHLUEIFWZFNVHC-APWZRJJASA-N 2 0 342.487 2.084 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001501186323 1113233441 /nfs/dbraw/zinc/23/34/41/1113233441.db2.gz ISCCSOMKFIUUSF-IYARVYRRSA-N 2 0 335.536 2.500 10 30 EEEERP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001501663071 1113422115 /nfs/dbraw/zinc/42/21/15/1113422115.db2.gz LUHKBJVNSRZKMA-HXUWFJFHSA-N 2 0 339.483 2.100 10 30 EEEERP C#CCC[NH2+][C@H](CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001506989182 1115035177 /nfs/dbraw/zinc/03/51/77/1115035177.db2.gz BHROQQVHNZJHOD-VQIMIIECSA-N 2 0 339.499 2.343 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C(F)(F)F ZINC001507456153 1115280445 /nfs/dbraw/zinc/28/04/45/1115280445.db2.gz GXMAODMZEPXLLG-KGLIPLIRSA-N 2 0 335.414 2.131 10 30 EEEERP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001567892646 1124160839 /nfs/dbraw/zinc/16/08/39/1124160839.db2.gz FDSATPBHFKMABO-OAHLLOKOSA-N 2 0 325.416 2.038 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001568118478 1124312522 /nfs/dbraw/zinc/31/25/22/1124312522.db2.gz UNSSBSQLMJBWPB-LJQANCHMSA-N 2 0 327.472 2.290 10 30 EEEERP CCO[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451549510 467259025 /nfs/dbraw/zinc/25/90/25/467259025.db2.gz WBYJLCPTWZPWFR-FGYAAKKASA-N 2 0 336.520 2.484 10 30 EEEERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000594512167 468613087 /nfs/dbraw/zinc/61/30/87/468613087.db2.gz IIGPZYWMEJTROX-RHNCMZPLSA-N 2 0 338.459 2.289 10 30 EEEERP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CCC[NH2+]1 ZINC000639001375 470354059 /nfs/dbraw/zinc/35/40/59/470354059.db2.gz KDLYQYYPRCLYJT-UYAOXDASSA-N 2 0 327.472 2.384 10 30 EEEERP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000303258548 686731163 /nfs/dbraw/zinc/73/11/63/686731163.db2.gz KXSFCSQUUOYOCK-CABCVRRESA-N 2 0 336.505 2.043 10 30 EEEERP C=CCC[N@H+](CC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001691042085 1176974424 /nfs/dbraw/zinc/97/44/24/1176974424.db2.gz BJKMCYGEBSIBMZ-MOPGFXCFSA-N 2 0 329.488 2.346 10 30 EEEERP C#CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001481372519 1181148721 /nfs/dbraw/zinc/14/87/21/1181148721.db2.gz IEYAYBHJOYXPPM-IBGZPJMESA-N 2 0 327.472 2.187 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@](C)(C[NH2+]Cc1ccc(C#N)cc1F)C1CC1 ZINC001481939819 1182996910 /nfs/dbraw/zinc/99/69/10/1182996910.db2.gz CATQQONRKPRLEE-IBGZPJMESA-N 2 0 346.450 2.024 10 30 EEEERP CC#CC[NH2+]C[C@@](C)(NC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001481940366 1182997550 /nfs/dbraw/zinc/99/75/50/1182997550.db2.gz RWDQHYLFARRCLQ-LJQANCHMSA-N 2 0 333.520 2.396 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001268646021 1183575719 /nfs/dbraw/zinc/57/57/19/1183575719.db2.gz MZVZEMHZBFXFAI-APWZRJJASA-N 2 0 345.462 2.144 10 30 EEEERP CC(C)(C(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001269464735 1184287215 /nfs/dbraw/zinc/28/72/15/1184287215.db2.gz NOSUYVCSDPFRRC-UHFFFAOYSA-N 2 0 339.483 2.151 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001269746591 1184586408 /nfs/dbraw/zinc/58/64/08/1184586408.db2.gz FXWSRNSXAQHDPM-QGZVFWFLSA-N 2 0 338.455 2.498 10 30 EEEERP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001271439580 1186226429 /nfs/dbraw/zinc/22/64/29/1186226429.db2.gz SSPODFZBJMKFIF-IBGZPJMESA-N 2 0 345.531 2.302 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2C[NH2+]CC(C)C)CC1 ZINC001482500032 1186409879 /nfs/dbraw/zinc/40/98/79/1186409879.db2.gz GZIFDNJLWMPTSR-HKUYNNGSSA-N 2 0 333.520 2.204 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485824284 1193457684 /nfs/dbraw/zinc/45/76/84/1193457684.db2.gz JZWLKHDXJQUMAY-CWRNSKLLSA-N 2 0 327.900 2.296 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483244502 1190273065 /nfs/dbraw/zinc/27/30/65/1190273065.db2.gz ZJMWXSBTHJOHAK-YOEHRIQHSA-N 2 0 348.516 2.334 10 30 EEEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272669971 1191007603 /nfs/dbraw/zinc/00/76/03/1191007603.db2.gz LBSNZSNHIHFLBT-IBGZPJMESA-N 2 0 327.472 2.262 10 30 EEEERP C[NH+](C)CCC(=O)NC1(C)CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001483970780 1191131596 /nfs/dbraw/zinc/13/15/96/1191131596.db2.gz KJQAPEZUSAMEAA-UHFFFAOYSA-N 2 0 346.450 2.120 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001484572144 1191421974 /nfs/dbraw/zinc/42/19/74/1191421974.db2.gz SQTWPJDZPNJEGM-WGSAOQKQSA-N 2 0 342.487 2.275 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001484987630 1191603951 /nfs/dbraw/zinc/60/39/51/1191603951.db2.gz DJXGHRPBRGOQQB-LSDHHAIUSA-N 2 0 348.516 2.429 10 30 EEEERP CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001411227562 1198938344 /nfs/dbraw/zinc/93/83/44/1198938344.db2.gz WIHAZZGPZBVGMQ-GOSISDBHSA-N 2 0 342.487 2.275 10 30 EEEERP CCCCCCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875761647 1199376001 /nfs/dbraw/zinc/37/60/01/1199376001.db2.gz JTLCTEAVHJSJNK-IAGOWNOFSA-N 2 0 326.529 2.338 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000900086542 1234003104 /nfs/dbraw/zinc/00/31/04/1234003104.db2.gz RHBAEPUWWCGTGG-UHFFFAOYSA-N 2 0 345.487 2.237 10 30 EEEERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(C#N)ccn1 ZINC000903048504 1239616807 /nfs/dbraw/zinc/61/68/07/1239616807.db2.gz NSXOVUNCIGOZAK-HNAYVOBHSA-N 2 0 336.439 2.371 10 30 EEEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001490765293 1291700098 /nfs/dbraw/zinc/70/00/98/1291700098.db2.gz MOXXSAPUGQVHTP-GOSISDBHSA-N 2 0 333.520 2.302 10 30 EEEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001277046349 1301008680 /nfs/dbraw/zinc/00/86/80/1301008680.db2.gz OVUXPMIVEUVDGD-AFYVEPGGSA-N 2 0 341.499 2.392 10 30 EEEERP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001277466348 1303450739 /nfs/dbraw/zinc/45/07/39/1303450739.db2.gz YIWGCCLLQOEXDM-HXUWFJFHSA-N 2 0 345.531 2.446 10 30 EEEERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001266172625 1323741220 /nfs/dbraw/zinc/74/12/20/1323741220.db2.gz KUNDWFFLGQHYHU-HNNXBMFYSA-N 2 0 335.879 2.128 10 30 EEEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001266234890 1323818528 /nfs/dbraw/zinc/81/85/28/1323818528.db2.gz NKBOMWCDGJSICG-HXUWFJFHSA-N 2 0 341.499 2.398 10 30 EEEERP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001279310983 1323869969 /nfs/dbraw/zinc/86/99/69/1323869969.db2.gz AUKNYEMDFLDASP-LJQANCHMSA-N 2 0 327.472 2.112 10 30 EEEERP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001281088256 1324758137 /nfs/dbraw/zinc/75/81/37/1324758137.db2.gz RIGUXFQKSXJVEQ-AEFFLSMTSA-N 2 0 325.472 2.167 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001283010787 1325881309 /nfs/dbraw/zinc/88/13/09/1325881309.db2.gz GEORYXKULFCAHZ-SFHVURJKSA-N 2 0 349.519 2.036 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001284227539 1326467025 /nfs/dbraw/zinc/46/70/25/1326467025.db2.gz QYRZWACQGCEAIN-PKOBYXMFSA-N 2 0 327.472 2.260 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC001285016076 1326830012 /nfs/dbraw/zinc/83/00/12/1326830012.db2.gz QMBRBAKZIYMLKH-FUHWJXTLSA-N 2 0 345.462 2.285 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C#N)cc2)C1 ZINC001491964870 1330359564 /nfs/dbraw/zinc/35/95/64/1330359564.db2.gz CSUWWVYHCWGDJM-IBGZPJMESA-N 2 0 342.487 2.321 10 30 EEEERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1cccc(C#N)c1 ZINC001492450810 1331262775 /nfs/dbraw/zinc/26/27/75/1331262775.db2.gz ZNXWMNXGNORCKG-OALUTQOASA-N 2 0 340.471 2.123 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC=C)[C@@H]2CC)CC1 ZINC001316742900 1331867983 /nfs/dbraw/zinc/86/79/83/1331867983.db2.gz YFPBBWAYSQVGIN-RBUKOAKNSA-N 2 0 331.504 2.267 10 30 EEEERP CCC[N@@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)CC[NH+](C)C ZINC001317545977 1332291811 /nfs/dbraw/zinc/29/18/11/1332291811.db2.gz DSAUYGSKMZFXBI-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP CC[C@H](C(=O)N(C)CC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001317652495 1332350102 /nfs/dbraw/zinc/35/01/02/1332350102.db2.gz AOVYTLCVQNGAAC-QGZVFWFLSA-N 2 0 335.879 2.080 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001318804634 1332601185 /nfs/dbraw/zinc/60/11/85/1332601185.db2.gz KUWGAKRLECGXBK-MOPGFXCFSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001318805944 1332601726 /nfs/dbraw/zinc/60/17/26/1332601726.db2.gz TYFRRHCDSBJBDC-NVXWUHKLSA-N 2 0 339.911 2.299 10 30 EEEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001323048182 1333374949 /nfs/dbraw/zinc/37/49/49/1333374949.db2.gz QZFDKKLGOJQITQ-MOPGFXCFSA-N 2 0 331.504 2.291 10 30 EEEERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001324261004 1333644677 /nfs/dbraw/zinc/64/46/77/1333644677.db2.gz NDQNGWHXINHZKY-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001326439465 1334094645 /nfs/dbraw/zinc/09/46/45/1334094645.db2.gz VPMKZSVWRNFTJW-MRXNPFEDSA-N 2 0 331.460 2.196 10 30 EEEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001327082940 1334218627 /nfs/dbraw/zinc/21/86/27/1334218627.db2.gz YLFNONUPACFOHX-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCOCC[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001327128353 1334229322 /nfs/dbraw/zinc/22/93/22/1334229322.db2.gz AWCHCSUDBOTHQD-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP CC#CC[NH+](C)CCCN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001327277257 1334257894 /nfs/dbraw/zinc/25/78/94/1334257894.db2.gz NKLSRYSEFMUHTC-LJQANCHMSA-N 2 0 329.488 2.483 10 30 EEEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)O2 ZINC001327359155 1334276253 /nfs/dbraw/zinc/27/62/53/1334276253.db2.gz LKKMRIUCHNYTKH-SJORKVTESA-N 2 0 349.519 2.175 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001330650433 1334882358 /nfs/dbraw/zinc/88/23/58/1334882358.db2.gz LCFZWWFBALLPOP-SAABIXHNSA-N 2 0 347.890 2.128 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C(F)(F)F ZINC001332459363 1335828443 /nfs/dbraw/zinc/82/84/43/1335828443.db2.gz LGESESIXEORSNQ-CABCVRRESA-N 2 0 347.425 2.131 10 30 EEEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001333023136 1335949489 /nfs/dbraw/zinc/94/94/89/1335949489.db2.gz YFJYKZKHSBVCBR-KBPBESRZSA-N 2 0 335.414 2.273 10 30 EEEERP C=CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C(F)(F)F ZINC001333022925 1335949612 /nfs/dbraw/zinc/94/96/12/1335949612.db2.gz XDKZWCFLHGXQSE-HUUCEWRRSA-N 2 0 347.425 2.273 10 30 EEEERP C=CCCC[C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001338583214 1336879530 /nfs/dbraw/zinc/87/95/30/1336879530.db2.gz RYBXIFHATFGHBR-RYQLBKOJSA-N 2 0 334.508 2.341 10 30 EEEERP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CCC[N@@H+](CC)CC1 ZINC001343696763 1337345294 /nfs/dbraw/zinc/34/52/94/1337345294.db2.gz AXORMKPMTYHZNB-QGZVFWFLSA-N 2 0 346.523 2.195 10 30 EEEERP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001665799723 1355390709 /nfs/dbraw/zinc/39/07/09/1355390709.db2.gz WNMMWRHVKQNGDK-SFHVURJKSA-N 2 0 345.462 2.146 10 30 EEEERP C=CCCC[N@H+]1CC[C@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001671653815 1356384702 /nfs/dbraw/zinc/38/47/02/1356384702.db2.gz HGBCYXYOYWFYJR-IBGZPJMESA-N 2 0 339.443 2.428 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)C[C@@H](F)CC)C2)CC1 ZINC001567202569 1342711308 /nfs/dbraw/zinc/71/13/08/1342711308.db2.gz IFYQIMYGRSPZBM-ROUUACIJSA-N 2 0 337.483 2.003 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001567504605 1342773886 /nfs/dbraw/zinc/77/38/86/1342773886.db2.gz QAXXNNXKQTVWGY-MRXNPFEDSA-N 2 0 334.489 2.042 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001676845666 1357219091 /nfs/dbraw/zinc/21/90/91/1357219091.db2.gz MBHZRIHKKPTKDH-OKZBNKHCSA-N 2 0 333.520 2.204 10 30 EEEERP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)Cc1ccccc1 ZINC001676898011 1357237016 /nfs/dbraw/zinc/23/70/16/1357237016.db2.gz JQBLZJJVACBCDX-HSALFYBXSA-N 2 0 341.499 2.057 10 30 EEEERP C#CCC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001660798211 1354540692 /nfs/dbraw/zinc/54/06/92/1354540692.db2.gz PCBRGBMKZBFKQP-IBGZPJMESA-N 2 0 333.520 2.443 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1cc(F)ccc1C#N ZINC001664396007 1355153806 /nfs/dbraw/zinc/15/38/06/1355153806.db2.gz YKLICXRCKNUKBN-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001664835764 1355239220 /nfs/dbraw/zinc/23/92/20/1355239220.db2.gz LZMMSSFKWMFNQY-LPHOPBHVSA-N 2 0 337.483 2.003 10 30 EEEERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001666563808 1355545636 /nfs/dbraw/zinc/54/56/36/1355545636.db2.gz WCASOOCOQKETEJ-MRXNPFEDSA-N 2 0 345.462 2.003 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001668455319 1355944742 /nfs/dbraw/zinc/94/47/42/1355944742.db2.gz JIUZFVJMQOYVPG-OAHLLOKOSA-N 2 0 348.516 2.432 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001672990621 1356627221 /nfs/dbraw/zinc/62/72/21/1356627221.db2.gz BXLUKIFSUXEJNG-MKXGPGLRSA-N 2 0 333.520 2.395 10 30 EEEERP C=CCOCC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001673928059 1356761180 /nfs/dbraw/zinc/76/11/80/1356761180.db2.gz ANFDCELMABVECV-APWZRJJASA-N 2 0 345.487 2.001 10 30 EEEERP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001698723258 1405028054 /nfs/dbraw/zinc/02/80/54/1405028054.db2.gz PIIQEAWKDODXDP-RBUKOAKNSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[N@H+](C)CCC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001698953253 1405185580 /nfs/dbraw/zinc/18/55/80/1405185580.db2.gz BNGRMJDNRXKNAC-UHFFFAOYSA-N 2 0 338.455 2.450 10 30 EEEERP C#CC[C@@H](COC)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001179291152 799848303 /nfs/dbraw/zinc/84/83/03/799848303.db2.gz KIZCYFWXRREPIQ-AWEZNQCLSA-N 2 0 340.370 2.198 10 30 EEEERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437169996 1089192313 /nfs/dbraw/zinc/19/23/13/1089192313.db2.gz WGMVWULKVWAKQN-WMLDXEAASA-N 2 0 346.450 2.166 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001438766604 1091343336 /nfs/dbraw/zinc/34/33/36/1091343336.db2.gz HTGWELWUIGYIKQ-GJZGRUSLSA-N 2 0 325.884 2.051 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001440415309 1093608885 /nfs/dbraw/zinc/60/88/85/1093608885.db2.gz MBVHPXTZSVRCJJ-XOKHGSTOSA-N 2 0 339.911 2.297 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001443242469 1097711073 /nfs/dbraw/zinc/71/10/73/1097711073.db2.gz JCJLMROGDAKWJJ-CVEARBPZSA-N 2 0 327.900 2.442 10 30 EEEERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(C#N)ccc1F ZINC001444857582 1099845682 /nfs/dbraw/zinc/84/56/82/1099845682.db2.gz GGFLWDAYMIMPEL-ROUUACIJSA-N 2 0 346.450 2.022 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001495496491 1101206763 /nfs/dbraw/zinc/20/67/63/1101206763.db2.gz WULBCUPHJMXJED-KRWDZBQOSA-N 2 0 327.472 2.290 10 30 EEEERP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2ccc(C#N)c(F)c2)CCC1 ZINC001447231761 1102248811 /nfs/dbraw/zinc/24/88/11/1102248811.db2.gz STEQJLDAPJUAMW-UHFFFAOYSA-N 2 0 346.450 2.168 10 30 EEEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCC1 ZINC001447251596 1102299379 /nfs/dbraw/zinc/29/93/79/1102299379.db2.gz RFYKPOMQUVVZMK-OAHLLOKOSA-N 2 0 327.900 2.488 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001497766092 1103065990 /nfs/dbraw/zinc/06/59/90/1103065990.db2.gz UCXIJAPODMWZPF-PWBPZBFBSA-N 2 0 339.483 2.173 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001494081732 1103492988 /nfs/dbraw/zinc/49/29/88/1103492988.db2.gz BWQHUBCQZFWXDS-QGZVFWFLSA-N 2 0 327.472 2.213 10 30 EEEERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC001448060653 1103917996 /nfs/dbraw/zinc/91/79/96/1103917996.db2.gz JKFCJXGJDFIYSU-KDOFPFPSSA-N 2 0 346.450 2.118 10 30 EEEERP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480769847 1107080811 /nfs/dbraw/zinc/08/08/11/1107080811.db2.gz FPUQCBMGFBMIOT-MRXNPFEDSA-N 2 0 345.462 2.146 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]Cc2cccc(F)c2)CC1 ZINC001480813960 1107166023 /nfs/dbraw/zinc/16/60/23/1107166023.db2.gz PRUKLLVOABIEOY-MRXNPFEDSA-N 2 0 345.462 2.155 10 30 EEEERP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001499066433 1108528748 /nfs/dbraw/zinc/52/87/48/1108528748.db2.gz IDAULUDBRGRFIS-MAUKXSAKSA-N 2 0 325.472 2.356 10 30 EEEERP C#CCC[C@H](O)C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC001461729520 1110347077 /nfs/dbraw/zinc/34/70/77/1110347077.db2.gz MXQAZTSHPLVWJP-IBGZPJMESA-N 2 0 329.488 2.083 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001499842974 1112508692 /nfs/dbraw/zinc/50/86/92/1112508692.db2.gz DMNMPVYQEIFANH-YLJYHZDGSA-N 2 0 341.499 2.397 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001499846720 1112511056 /nfs/dbraw/zinc/51/10/56/1112511056.db2.gz ANGOXQKFNOYHLR-VQIMIIECSA-N 2 0 327.472 2.354 10 30 EEEERP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1ccnc1)C2 ZINC001501173884 1113228489 /nfs/dbraw/zinc/22/84/89/1113228489.db2.gz RQTPUSKRZSWHKG-BCDXTJNWSA-N 2 0 328.460 2.046 10 30 EEEERP CC#CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001507453901 1115278887 /nfs/dbraw/zinc/27/88/87/1115278887.db2.gz QAMUGOZUQBSNAF-ROUUACIJSA-N 2 0 333.520 2.347 10 30 EEEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001508084245 1115416181 /nfs/dbraw/zinc/41/61/81/1115416181.db2.gz GVLFEIRLYLJMAA-ZIAGYGMSSA-N 2 0 333.398 2.027 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCCCC=C)CC1 ZINC001567866634 1124148436 /nfs/dbraw/zinc/14/84/36/1124148436.db2.gz TVRSUWWYGWRVJK-PMACEKPBSA-N 2 0 343.515 2.363 10 30 EEEERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001568951147 1124985811 /nfs/dbraw/zinc/98/58/11/1124985811.db2.gz OVNMGJXTZZQKOU-QWNKOJSDSA-N 2 0 346.450 2.046 10 30 EEEERP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352811485 277032307 /nfs/dbraw/zinc/03/23/07/277032307.db2.gz SHVKHRRPLIDIQE-UHFFFAOYSA-N 2 0 327.350 2.123 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C(C)C ZINC000417058328 466767741 /nfs/dbraw/zinc/76/77/41/466767741.db2.gz FJRLHUQHDCGTNB-MSOLQXFVSA-N 2 0 334.508 2.221 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000594440442 468589369 /nfs/dbraw/zinc/58/93/69/468589369.db2.gz CIYVICHOGGFKMD-GOSISDBHSA-N 2 0 346.450 2.318 10 30 EEEERP N#CC1(C[C@H](O)C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000600723261 468636686 /nfs/dbraw/zinc/63/66/86/468636686.db2.gz BRKYJALOSRGHRX-SFHVURJKSA-N 2 0 343.471 2.306 10 30 EEEERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000602583715 469371754 /nfs/dbraw/zinc/37/17/54/469371754.db2.gz RVFRMFXVNNFQMM-BHIYHBOVSA-N 2 0 342.487 2.282 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659450831 471634195 /nfs/dbraw/zinc/63/41/95/471634195.db2.gz YLEFXYVWRGRJHN-GOSISDBHSA-N 2 0 348.535 2.448 10 30 EEEERP C=CC[C@@]1(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662697817 472213968 /nfs/dbraw/zinc/21/39/68/472213968.db2.gz CJYOHCHLUQWBSS-JXFKEZNVSA-N 2 0 327.472 2.248 10 30 EEEERP C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261980230 676885607 /nfs/dbraw/zinc/88/56/07/676885607.db2.gz OSRANVZDJDOLGY-YLLORCDKSA-N 2 0 340.515 2.466 10 30 EEEERP C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261997695 682763289 /nfs/dbraw/zinc/76/32/89/682763289.db2.gz SWJFDTAYBLBNOY-WOSRLPQWSA-N 2 0 335.496 2.289 10 30 EEEERP C[NH+]=C(NCc1ccn(C2CCCC2)n1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262015853 682848549 /nfs/dbraw/zinc/84/85/49/682848549.db2.gz XSSXMAWYYUEDLW-CRAIPNDOSA-N 2 0 346.523 2.392 10 30 EEEERP CC[NH+]=C(NC[C@H]1CCCC[N@@H+]1CC)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000262809202 688511692 /nfs/dbraw/zinc/51/16/92/688511692.db2.gz TUPHRXWRUHQQKS-XVLXNVKGSA-N 3 0 349.567 2.431 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]Cc2ccccc2)CC1 ZINC001485752434 1191922402 /nfs/dbraw/zinc/92/24/02/1191922402.db2.gz VTWYUNJMGGFACL-SFHVURJKSA-N 2 0 341.499 2.406 10 30 EEEERP CC[N@H+](C)CCC(=O)NC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001266436449 1176532552 /nfs/dbraw/zinc/53/25/52/1176532552.db2.gz DPBQQBFRHBNLDV-IBGZPJMESA-N 2 0 345.462 2.003 10 30 EEEERP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC#Cc2ccccc2)CC1 ZINC001266984220 1178039671 /nfs/dbraw/zinc/03/96/71/1178039671.db2.gz SSQUGZXGMHDHDJ-SFHVURJKSA-N 2 0 341.499 2.253 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+][C@H](C)CCC=C)C2)CC1 ZINC001267070916 1178187281 /nfs/dbraw/zinc/18/72/81/1178187281.db2.gz RASTWFZQSLXBDJ-QZTJIDSGSA-N 2 0 331.504 2.124 10 30 EEEERP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691441592 1178638926 /nfs/dbraw/zinc/63/89/26/1178638926.db2.gz JOLSTTXUBHICEQ-RTBURBONSA-N 2 0 341.499 2.489 10 30 EEEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001481513928 1181613393 /nfs/dbraw/zinc/61/33/93/1181613393.db2.gz LSXUQSDPQYIQDY-IBGZPJMESA-N 2 0 333.520 2.465 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001481952745 1183023568 /nfs/dbraw/zinc/02/35/68/1183023568.db2.gz TWZXVFADHAHLEX-GOSISDBHSA-N 2 0 348.516 2.334 10 30 EEEERP C#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001482042219 1183213782 /nfs/dbraw/zinc/21/37/82/1183213782.db2.gz FVCQVKLWPDLCDX-IBGZPJMESA-N 2 0 331.504 2.245 10 30 EEEERP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001482204170 1183946252 /nfs/dbraw/zinc/94/62/52/1183946252.db2.gz AXLKSVLTKMPJPT-GOSISDBHSA-N 2 0 337.508 2.036 10 30 EEEERP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001269460540 1184282787 /nfs/dbraw/zinc/28/27/87/1184282787.db2.gz JINQTIHLOJTKST-SFHVURJKSA-N 2 0 345.462 2.003 10 30 EEEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)ncc3C2)CCCC1 ZINC001270791677 1185390999 /nfs/dbraw/zinc/39/09/99/1185390999.db2.gz QCZLLXXUJPAMOX-MRXNPFEDSA-N 2 0 330.476 2.349 10 30 EEEERP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001270807180 1185406677 /nfs/dbraw/zinc/40/66/77/1185406677.db2.gz WGUYCZCLZNVVLC-QZTJIDSGSA-N 2 0 349.519 2.225 10 30 EEEERP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001482504480 1186414994 /nfs/dbraw/zinc/41/49/94/1186414994.db2.gz LYUHDNIFULSQPY-LJQANCHMSA-N 2 0 333.520 2.465 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001272227179 1188432845 /nfs/dbraw/zinc/43/28/45/1188432845.db2.gz UFJGBGSYNYIYJG-MOPGFXCFSA-N 2 0 331.504 2.199 10 30 EEEERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001485923365 1193641396 /nfs/dbraw/zinc/64/13/96/1193641396.db2.gz CZKRBCWFKLIOEB-QAPCUYQASA-N 2 0 349.906 2.468 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]Cc2csc(C)c2)CC1 ZINC001483512385 1190525669 /nfs/dbraw/zinc/52/56/69/1190525669.db2.gz XSOYWQDCAJIFJF-UHFFFAOYSA-N 2 0 347.528 2.340 10 30 EEEERP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001483989930 1191144852 /nfs/dbraw/zinc/14/48/52/1191144852.db2.gz ZNGWYCPQFCYNIO-UHFFFAOYSA-N 2 0 347.425 2.205 10 30 EEEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001484558596 1191414674 /nfs/dbraw/zinc/41/46/74/1191414674.db2.gz JOYAHNJBKCOYRG-INIZCTEOSA-N 2 0 327.472 2.461 10 30 EEEERP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001484556004 1191418024 /nfs/dbraw/zinc/41/80/24/1191418024.db2.gz GYGQLQVXJPRPNY-ROUUACIJSA-N 2 0 341.499 2.488 10 30 EEEERP C#CCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001484772538 1191515057 /nfs/dbraw/zinc/51/50/57/1191515057.db2.gz WFJISBPPDBJTJW-RTBURBONSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCC[NH2+][C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001486189337 1193731303 /nfs/dbraw/zinc/73/13/03/1193731303.db2.gz SZNOGQDMORXVCP-YZGWKJHDSA-N 2 0 341.499 2.057 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CCCCCF)C2)CC1 ZINC001486483625 1193997782 /nfs/dbraw/zinc/99/77/82/1193997782.db2.gz MXAGRVFVAREYCQ-UHFFFAOYSA-N 2 0 337.483 2.050 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC/C=C\CC)CCC2)CC1 ZINC001273202789 1197504800 /nfs/dbraw/zinc/50/48/00/1197504800.db2.gz VXGWAFURHDOMDU-WAYWQWQTSA-N 2 0 331.504 2.316 10 30 EEEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001273276680 1197945907 /nfs/dbraw/zinc/94/59/07/1197945907.db2.gz KXECPXHTGOQWFL-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CCO1 ZINC001273286757 1197958766 /nfs/dbraw/zinc/95/87/66/1197958766.db2.gz WYEHEVXPQMDGRL-KRWDZBQOSA-N 2 0 337.508 2.033 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000876840165 1199792475 /nfs/dbraw/zinc/79/24/75/1199792475.db2.gz LEZUJRNJHZBPKN-KBPBESRZSA-N 2 0 328.243 2.283 10 30 EEEERP C[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)[C@@H]1CCC[NH3+] ZINC000867986017 1201721384 /nfs/dbraw/zinc/72/13/84/1201721384.db2.gz USYHVIUUKLCDQV-ZMYBRWDISA-N 2 0 340.471 2.111 10 30 EEEERP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001275159423 1205269887 /nfs/dbraw/zinc/26/98/87/1205269887.db2.gz CEBWMOWVRXQIJS-RBUKOAKNSA-N 2 0 327.472 2.235 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCC2CC2)CC1 ZINC001275816747 1205548111 /nfs/dbraw/zinc/54/81/11/1205548111.db2.gz MTCWLGFEEHHXHU-UXHICEINSA-N 2 0 345.531 2.396 10 30 EEEERP CC[C@H](C)NC(=[NH2+])NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000305735554 1217116092 /nfs/dbraw/zinc/11/60/92/1217116092.db2.gz RXOJKXCOPFUQJC-INIZCTEOSA-N 2 0 343.519 2.421 10 30 EEEERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C(C)(C)c2cccc(C#N)c2)cnn1C ZINC000903932503 1242556262 /nfs/dbraw/zinc/55/62/62/1242556262.db2.gz CPXYVNOAHGWMKY-INIZCTEOSA-N 2 0 325.460 2.243 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001491258159 1258855881 /nfs/dbraw/zinc/85/58/81/1258855881.db2.gz LTJBCQJEOZAZDO-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C[NH+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001491362425 1259001554 /nfs/dbraw/zinc/00/15/54/1259001554.db2.gz YGXJKTZLNFABRE-UHFFFAOYSA-N 2 0 346.450 2.166 10 30 EEEERP C#CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001273599455 1280827515 /nfs/dbraw/zinc/82/75/15/1280827515.db2.gz RINLNWALFARJEP-OALUTQOASA-N 2 0 333.520 2.302 10 30 EEEERP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001490773336 1291716705 /nfs/dbraw/zinc/71/67/05/1291716705.db2.gz ZORXMFIQDZWCTM-GDBMZVCRSA-N 2 0 327.900 2.251 10 30 EEEERP Cc1ccc([C@@H](CNC(=O)C#CC2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000852863934 1292219320 /nfs/dbraw/zinc/21/93/20/1292219320.db2.gz UGPWTYOXHDCYLD-HXUWFJFHSA-N 2 0 339.483 2.251 10 30 EEEERP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCO1 ZINC001276791947 1297752925 /nfs/dbraw/zinc/75/29/25/1297752925.db2.gz YVAIQUNLASNWEM-WMZOPIPTSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH2+]CCC[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001277547453 1303884591 /nfs/dbraw/zinc/88/45/91/1303884591.db2.gz GASUSZWUTSKEAK-IEBWSBKVSA-N 2 0 327.472 2.189 10 30 EEEERP CC#CC[NH2+]CCCCCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001264043023 1322597094 /nfs/dbraw/zinc/59/70/94/1322597094.db2.gz IHEWCGCCCUWPBF-UHFFFAOYSA-N 2 0 333.520 2.494 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)CC(C)C)CC1 ZINC001264745855 1322800176 /nfs/dbraw/zinc/80/01/76/1322800176.db2.gz YAKZRULPAKYVHV-IBGZPJMESA-N 2 0 333.520 2.301 10 30 EEEERP C=CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001264747116 1322801469 /nfs/dbraw/zinc/80/14/69/1322801469.db2.gz QFINAVDAUUGATL-HNNXBMFYSA-N 2 0 348.516 2.178 10 30 EEEERP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265526360 1323205026 /nfs/dbraw/zinc/20/50/26/1323205026.db2.gz YVMCAWQTLRLRIK-MOPGFXCFSA-N 2 0 331.504 2.199 10 30 EEEERP C[NH+](C)CCC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001266231454 1323810999 /nfs/dbraw/zinc/81/09/99/1323810999.db2.gz IVSTYAUMDOYNIR-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001282773595 1325782314 /nfs/dbraw/zinc/78/23/14/1325782314.db2.gz STEVFMXTBZNCCX-YLJYHZDGSA-N 2 0 349.519 2.129 10 30 EEEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001283503799 1326102581 /nfs/dbraw/zinc/10/25/81/1326102581.db2.gz WUUDEHQKRWVEDT-IEBWSBKVSA-N 2 0 331.504 2.101 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001284819175 1326728110 /nfs/dbraw/zinc/72/81/10/1326728110.db2.gz UNUSAEPMAYYHAY-IVMQYODDSA-N 2 0 331.504 2.265 10 30 EEEERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001491578832 1330171552 /nfs/dbraw/zinc/17/15/52/1330171552.db2.gz HLESIZUDFWANJZ-CVEARBPZSA-N 2 0 347.890 2.128 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001491884571 1330288542 /nfs/dbraw/zinc/28/85/42/1330288542.db2.gz CGSZIRBQXKPHPR-DLBZAZTESA-N 2 0 346.450 2.166 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001316807479 1331904159 /nfs/dbraw/zinc/90/41/59/1331904159.db2.gz ZMZCLPOGCUGHEZ-FQEVSTJZSA-N 2 0 345.531 2.445 10 30 EEEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317157492 1332104201 /nfs/dbraw/zinc/10/42/01/1332104201.db2.gz JBXHWSGPKIFJDH-CRAIPNDOSA-N 2 0 325.472 2.213 10 30 EEEERP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001317511728 1332274956 /nfs/dbraw/zinc/27/49/56/1332274956.db2.gz CFLXWGNHQZDCTA-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001324812959 1333765676 /nfs/dbraw/zinc/76/56/76/1333765676.db2.gz KCQPRRLPEKWSND-PZJWPPBQSA-N 2 0 341.499 2.207 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001324974952 1333800460 /nfs/dbraw/zinc/80/04/60/1333800460.db2.gz CQXXVCDXMDCYMJ-QUCCMNQESA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001326488920 1334103149 /nfs/dbraw/zinc/10/31/49/1334103149.db2.gz CIYDAUOODJITET-MRXNPFEDSA-N 2 0 325.456 2.073 10 30 EEEERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001329152560 1334596090 /nfs/dbraw/zinc/59/60/90/1334596090.db2.gz RQWFSSSAHONBDN-RBUKOAKNSA-N 2 0 341.499 2.253 10 30 EEEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@H]1C ZINC001331920235 1335675490 /nfs/dbraw/zinc/67/54/90/1335675490.db2.gz WMDXZUXFNMKCDC-PKOBYXMFSA-N 2 0 329.488 2.316 10 30 EEEERP C#CC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)c1ccccc1 ZINC001567660537 1342807544 /nfs/dbraw/zinc/80/75/44/1342807544.db2.gz CQCFMQRAVCMQSA-LJQANCHMSA-N 2 0 332.407 2.337 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001569809881 1342949341 /nfs/dbraw/zinc/94/93/41/1342949341.db2.gz DSFXZVFGFFSLDR-HUUCEWRRSA-N 2 0 333.501 2.273 10 30 EEEERP C=C(Br)C[NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001677441258 1357331748 /nfs/dbraw/zinc/33/17/48/1357331748.db2.gz IOYJGZMPBLNRKI-UHFFFAOYSA-N 2 0 346.313 2.206 10 30 EEEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001662780334 1354845037 /nfs/dbraw/zinc/84/50/37/1354845037.db2.gz XWHIUJMABIIXBH-VQTJNVASSA-N 2 0 341.499 2.445 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001664859832 1355245609 /nfs/dbraw/zinc/24/56/09/1355245609.db2.gz XMHPGQBHBIIRIK-RTBURBONSA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2cccc(F)c2)CC1 ZINC001667059563 1355641133 /nfs/dbraw/zinc/64/11/33/1355641133.db2.gz RWIMNTVKRKOIFY-INIZCTEOSA-N 2 0 345.462 2.107 10 30 EEEERP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001667420793 1355738318 /nfs/dbraw/zinc/73/83/18/1355738318.db2.gz DFZIQCNERKJVHY-RTBURBONSA-N 2 0 331.504 2.197 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCc1ccccc1C ZINC001669320702 1356144775 /nfs/dbraw/zinc/14/47/75/1356144775.db2.gz PYEYINZQTOSJPR-QUCCMNQESA-N 2 0 341.499 2.120 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001669664095 1356191465 /nfs/dbraw/zinc/19/14/65/1356191465.db2.gz CKKDTGDHUWQBQV-HOTGVXAUSA-N 2 0 347.890 2.128 10 30 EEEERP C=CC[NH+]1CCC(C)(NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001671428630 1356337960 /nfs/dbraw/zinc/33/79/60/1356337960.db2.gz FZGZHDIEDVZLBI-UHFFFAOYSA-N 2 0 329.488 2.318 10 30 EEEERP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001673309737 1356664460 /nfs/dbraw/zinc/66/44/60/1356664460.db2.gz AGBUEAOSAGEJLQ-GOSISDBHSA-N 2 0 339.524 2.116 10 30 EEEERP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001675620456 1357016572 /nfs/dbraw/zinc/01/65/72/1357016572.db2.gz BQVXAHXLXQIMRN-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940852980 779436464 /nfs/dbraw/zinc/43/64/64/779436464.db2.gz ILDOHCJNIMLKGA-GOSISDBHSA-N 2 0 338.455 2.496 10 30 EEEERP C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941238138 780225978 /nfs/dbraw/zinc/22/59/78/780225978.db2.gz UCCDZNPPQNLYLG-GOSISDBHSA-N 2 0 327.472 2.212 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000914100581 794867845 /nfs/dbraw/zinc/86/78/45/794867845.db2.gz HLROPLWIYXCFOT-HDICACEKSA-N 2 0 348.535 2.141 10 30 EEEERP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC(C)(C)C1 ZINC001566131342 1125583940 /nfs/dbraw/zinc/58/39/40/1125583940.db2.gz KPQZEEKFCSGRKI-QGZVFWFLSA-N 2 0 339.524 2.136 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@](C)(C[NH2+]Cc1ccccc1C#N)C1CC1 ZINC001438430191 1090929016 /nfs/dbraw/zinc/92/90/16/1090929016.db2.gz ZNTQHCIVIXOEMU-FQEVSTJZSA-N 2 0 342.487 2.273 10 30 EEEERP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001445591429 1091380681 /nfs/dbraw/zinc/38/06/81/1091380681.db2.gz IMEQZHRNZVAOSH-HNNXBMFYSA-N 2 0 328.460 2.027 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1C ZINC001439243008 1091892961 /nfs/dbraw/zinc/89/29/61/1091892961.db2.gz SEWIBCROMGAMHD-QANKJYHBSA-N 2 0 346.450 2.022 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCC1 ZINC001440359255 1093518593 /nfs/dbraw/zinc/51/85/93/1093518593.db2.gz YCYBMLGFHQQIPS-UHFFFAOYSA-N 2 0 334.489 2.088 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001440362920 1093527173 /nfs/dbraw/zinc/52/71/73/1093527173.db2.gz PLAXCHRXZFTOAK-JCNLHEQBSA-N 2 0 346.450 2.022 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001449054970 1094070590 /nfs/dbraw/zinc/07/05/90/1094070590.db2.gz JUOMSUNIFQQLQH-NVXWUHKLSA-N 2 0 346.450 2.024 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001449054955 1094071035 /nfs/dbraw/zinc/07/10/35/1094071035.db2.gz JUOMSUNIFQQLQH-DOTOQJQBSA-N 2 0 346.450 2.024 10 30 EEEERP C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2C#N)CCN1C(=O)CCC[NH+](C)C ZINC001441826886 1095873372 /nfs/dbraw/zinc/87/33/72/1095873372.db2.gz QTHCIPRJHMHAQV-KBXCAEBGSA-N 2 0 346.450 2.118 10 30 EEEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001479835567 1099120051 /nfs/dbraw/zinc/12/00/51/1099120051.db2.gz XHIJRTXDRIZMOC-AEFFLSMTSA-N 2 0 337.508 2.033 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001480238218 1099869905 /nfs/dbraw/zinc/86/99/05/1099869905.db2.gz PTLXQXXCGFBHPQ-TZRIAGMCSA-N 2 0 339.483 2.148 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001496443249 1101033894 /nfs/dbraw/zinc/03/38/94/1101033894.db2.gz GFKLUBAGKDZNSK-NVXWUHKLSA-N 2 0 338.455 2.496 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCC(C)C)CCCC2)CC1 ZINC001495963052 1101840924 /nfs/dbraw/zinc/84/09/24/1101840924.db2.gz BPKKKZOIXQOVTG-UHFFFAOYSA-N 2 0 333.520 2.396 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001498659490 1107913425 /nfs/dbraw/zinc/91/34/25/1107913425.db2.gz YJHPUELCQPTEAF-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP CCC#C[C@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001473295804 1110573922 /nfs/dbraw/zinc/57/39/22/1110573922.db2.gz FEONTMNPDCQDQQ-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001501651279 1113415948 /nfs/dbraw/zinc/41/59/48/1113415948.db2.gz NDRASQMKLDFLOG-OALUTQOASA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001501715300 1113446897 /nfs/dbraw/zinc/44/68/97/1113446897.db2.gz BZPKLZWFMWZSMV-UAPYVXQJSA-N 2 0 333.520 2.395 10 30 EEEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001503352577 1113884800 /nfs/dbraw/zinc/88/48/00/1113884800.db2.gz SRSHXMACLMFLTL-HNNXBMFYSA-N 2 0 327.432 2.332 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccsc2)CC1 ZINC001506065434 1114389911 /nfs/dbraw/zinc/38/99/11/1114389911.db2.gz OXKXLZFSVPEHTM-OAHLLOKOSA-N 2 0 333.501 2.030 10 30 EEEERP C#CCC[NH2+][C@H](CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001506989180 1115035088 /nfs/dbraw/zinc/03/50/88/1115035088.db2.gz BHROQQVHNZJHOD-APWZRJJASA-N 2 0 339.499 2.343 10 30 EEEERP CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001507036337 1115072648 /nfs/dbraw/zinc/07/26/48/1115072648.db2.gz VZYJSENWDKSCAW-WOJBJXKFSA-N 2 0 341.499 2.205 10 30 EEEERP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001507113792 1115115151 /nfs/dbraw/zinc/11/51/51/1115115151.db2.gz DFXQZLOVCXHKCV-MRXNPFEDSA-N 2 0 349.906 2.470 10 30 EEEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001567836679 1124136401 /nfs/dbraw/zinc/13/64/01/1124136401.db2.gz SIAOMFWRRZNMPI-OAHLLOKOSA-N 2 0 339.443 2.284 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001568713985 1124731509 /nfs/dbraw/zinc/73/15/09/1124731509.db2.gz MLUVNMFAQATSOG-ICSRJNTNSA-N 2 0 341.499 2.397 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001569167467 1125141533 /nfs/dbraw/zinc/14/15/33/1125141533.db2.gz BXQFUBFUWIJIQH-RTBURBONSA-N 2 0 333.520 2.395 10 30 EEEERP CC[NH+]=C(NCc1noc(C)n1)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000088959809 462650150 /nfs/dbraw/zinc/65/01/50/462650150.db2.gz PCSKDFGSYZIIMN-OAHLLOKOSA-N 2 0 348.495 2.230 10 30 EEEERP C#CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000072284316 463497709 /nfs/dbraw/zinc/49/77/09/463497709.db2.gz YMLVHWUBHGPKHV-MRXNPFEDSA-N 2 0 333.501 2.031 10 30 EEEERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437893 468586597 /nfs/dbraw/zinc/58/65/97/468586597.db2.gz QAQOPVMWUNISHA-NXHRZFHOSA-N 2 0 328.460 2.034 10 30 EEEERP C[NH+](C)C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594438991 468587427 /nfs/dbraw/zinc/58/74/27/468587427.db2.gz XZYSTHVJNNIKOY-CVEARBPZSA-N 2 0 336.867 2.470 10 30 EEEERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000594512593 468613148 /nfs/dbraw/zinc/61/31/48/468613148.db2.gz WZGBUXPKROZVBH-PUZFROQSSA-N 2 0 326.488 2.452 10 30 EEEERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(C#N)CCCC1 ZINC000593427887 468974275 /nfs/dbraw/zinc/97/42/75/468974275.db2.gz VJNPXYVUVUEJDY-QGZVFWFLSA-N 2 0 349.523 2.128 10 30 EEEERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000610989567 469132095 /nfs/dbraw/zinc/13/20/95/469132095.db2.gz OFXNUVOKBBVRNN-QRFRQXIXSA-N 2 0 345.487 2.154 10 30 EEEERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccc(F)cc1C#N ZINC000596783665 469358127 /nfs/dbraw/zinc/35/81/27/469358127.db2.gz OHODGWLJGWMCCT-ZDUSSCGKSA-N 2 0 335.427 2.091 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000626937848 469762861 /nfs/dbraw/zinc/76/28/61/469762861.db2.gz WJKNSKNYWPJSNE-IRXDYDNUSA-N 2 0 334.508 2.269 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N(CC)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000663669285 471466800 /nfs/dbraw/zinc/46/68/00/471466800.db2.gz WFFLKXBIBFNMEC-QZTJIDSGSA-N 2 0 336.524 2.421 10 30 EEEERP CCC[NH+]1CCN(c2ccccc2C=[NH+]NC2CCOCC2)CC1 ZINC000757590123 577860769 /nfs/dbraw/zinc/86/07/69/577860769.db2.gz JYUXHFWHRKDWNV-UHFFFAOYSA-N 2 0 330.476 2.321 10 30 EEEERP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000162279367 682314841 /nfs/dbraw/zinc/31/48/41/682314841.db2.gz HRINZHWFAQBKPT-FJIDUMEYSA-N 2 0 348.535 2.326 10 30 EEEERP C=C(Cl)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001485652825 1191871364 /nfs/dbraw/zinc/87/13/64/1191871364.db2.gz GHFZFLXIMNHYBH-HRCADAONSA-N 2 0 339.911 2.440 10 30 EEEERP C=CCCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001485674104 1191893129 /nfs/dbraw/zinc/89/31/29/1191893129.db2.gz XOTKEFYFKGGPEA-GOSISDBHSA-N 2 0 349.519 2.036 10 30 EEEERP C#CC[NH2+]CCC[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001485780016 1191949071 /nfs/dbraw/zinc/94/90/71/1191949071.db2.gz PYKLSVJTIZKGDU-HKUYNNGSSA-N 2 0 327.472 2.189 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C/C=C\c2ccccc2)CC1 ZINC001691000395 1176472330 /nfs/dbraw/zinc/47/23/30/1176472330.db2.gz FNBVAOWGSYIUSS-YFHOEESVSA-N 2 0 339.483 2.093 10 30 EEEERP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001266487016 1176622241 /nfs/dbraw/zinc/62/22/41/1176622241.db2.gz YMNNMXNEAZUNCN-IXDOHACOSA-N 2 0 325.472 2.308 10 30 EEEERP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001266527223 1176744115 /nfs/dbraw/zinc/74/41/15/1176744115.db2.gz KINHROHJCRHGKX-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001266544639 1176802779 /nfs/dbraw/zinc/80/27/79/1176802779.db2.gz FKOZYQASUROXOM-IBGZPJMESA-N 2 0 342.487 2.228 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC(=C)Cl)CC1 ZINC001267191406 1178464782 /nfs/dbraw/zinc/46/47/82/1178464782.db2.gz ULJSJGDYFDJKQR-WBVHZDCISA-N 2 0 337.895 2.053 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001267233661 1178561131 /nfs/dbraw/zinc/56/11/31/1178561131.db2.gz VXWGCXIUOZDBJZ-UHFFFAOYSA-N 2 0 347.890 2.233 10 30 EEEERP C#CCC[N@H+](CCC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001481147859 1179919492 /nfs/dbraw/zinc/91/94/92/1179919492.db2.gz OOEHUWCJMCIHNM-SFHVURJKSA-N 2 0 325.472 2.050 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1 ZINC001267938347 1180793780 /nfs/dbraw/zinc/79/37/80/1180793780.db2.gz TYOQBCWHEIOJPC-PMACEKPBSA-N 2 0 339.483 2.433 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001268214880 1182023739 /nfs/dbraw/zinc/02/37/39/1182023739.db2.gz XNAXMABNTCHUOX-HKUYNNGSSA-N 2 0 333.520 2.395 10 30 EEEERP C[C@H](CN(C)CC#Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001268760716 1183681016 /nfs/dbraw/zinc/68/10/16/1183681016.db2.gz XBWJNRPEDVTLTJ-LJQANCHMSA-N 2 0 341.499 2.351 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001268795404 1183712422 /nfs/dbraw/zinc/71/24/22/1183712422.db2.gz JBRLTPNTJNPHBZ-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(C)ccc2C)CC1 ZINC001269428440 1184260032 /nfs/dbraw/zinc/26/00/32/1184260032.db2.gz LZNMTEIYLQTHAO-IBGZPJMESA-N 2 0 339.483 2.139 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001270292962 1184993315 /nfs/dbraw/zinc/99/33/15/1184993315.db2.gz DHHRRYRBODXKBM-MOPGFXCFSA-N 2 0 327.472 2.283 10 30 EEEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCOCC1 ZINC001271072609 1185859176 /nfs/dbraw/zinc/85/91/76/1185859176.db2.gz GCTMWPCMSVNZAD-QGZVFWFLSA-N 2 0 337.508 2.080 10 30 EEEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001482475359 1186022730 /nfs/dbraw/zinc/02/27/30/1186022730.db2.gz ZOUGTMATAWHWHS-HZPDHXFCSA-N 2 0 339.443 2.284 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@H]2C[NH2+]CC(C)C)CC1 ZINC001482500041 1186409475 /nfs/dbraw/zinc/40/94/75/1186409475.db2.gz GZIFDNJLWMPTSR-PKOBYXMFSA-N 2 0 333.520 2.204 10 30 EEEERP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)C2 ZINC001271750760 1186458749 /nfs/dbraw/zinc/45/87/49/1186458749.db2.gz UFJUEFSIXKMXSN-BCDXTJNWSA-N 2 0 349.519 2.033 10 30 EEEERP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001271753473 1186462448 /nfs/dbraw/zinc/46/24/48/1186462448.db2.gz YCIHXYZECMROPM-YLJYHZDGSA-N 2 0 345.531 2.348 10 30 EEEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485825008 1193464581 /nfs/dbraw/zinc/46/45/81/1193464581.db2.gz WWTRGXXNYCIHEU-RTBURBONSA-N 2 0 331.504 2.243 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)Cc2ccccc2)CC1 ZINC001272786701 1193498024 /nfs/dbraw/zinc/49/80/24/1193498024.db2.gz TUMAKWYMDIVUDR-UAPYVXQJSA-N 2 0 327.472 2.016 10 30 EEEERP C#CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001483984722 1191142262 /nfs/dbraw/zinc/14/22/62/1191142262.db2.gz WROFIXQAKCYLBI-PXNSSMCTSA-N 2 0 345.531 2.301 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001484356291 1191316533 /nfs/dbraw/zinc/31/65/33/1191316533.db2.gz BYMKXGXNWWGGST-UYAOXDASSA-N 2 0 341.499 2.205 10 30 EEEERP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCOCC1 ZINC001484862900 1191554501 /nfs/dbraw/zinc/55/45/01/1191554501.db2.gz UMADUYNNDQDKIO-KRWDZBQOSA-N 2 0 337.508 2.080 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001485217472 1191689648 /nfs/dbraw/zinc/68/96/48/1191689648.db2.gz SCPAIUALYOQSTN-KBPBESRZSA-N 2 0 334.439 2.022 10 30 EEEERP C=CCC[NH+]1CCC(C2(NC(=O)COC3CC[NH+](C)CC3)CC2)CC1 ZINC001486489850 1194002095 /nfs/dbraw/zinc/00/20/95/1194002095.db2.gz AEHFDZUTZMLRST-UHFFFAOYSA-N 2 0 349.519 2.034 10 30 EEEERP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272976569 1194285106 /nfs/dbraw/zinc/28/51/06/1194285106.db2.gz DZQYKSVPWFZDTF-GJYPPUQNSA-N 2 0 342.487 2.273 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC001273261256 1197848310 /nfs/dbraw/zinc/84/83/10/1197848310.db2.gz SKMXOEPAKTWTBR-IEBWSBKVSA-N 2 0 349.519 2.034 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000877133513 1199867277 /nfs/dbraw/zinc/86/72/77/1199867277.db2.gz DQXLKRPUNUCFMA-COXVUDFISA-N 2 0 335.879 2.341 10 30 EEEERP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)C[C@H]1C[NH+](C)C ZINC000870018805 1200410904 /nfs/dbraw/zinc/41/09/04/1200410904.db2.gz XFFAYVHKNWYACZ-HUUCEWRRSA-N 2 0 348.878 2.023 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1 ZINC001274609037 1205095629 /nfs/dbraw/zinc/09/56/29/1205095629.db2.gz HUOJNGLHFUXAOX-PXPVJAHISA-N 2 0 340.471 2.195 10 30 EEEERP C#CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001274950741 1205216832 /nfs/dbraw/zinc/21/68/32/1205216832.db2.gz VFRNHOFGFGQFHJ-LJQANCHMSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001275062499 1205246992 /nfs/dbraw/zinc/24/69/92/1205246992.db2.gz ATBADDXJCNITPG-VAMGGRTRSA-N 2 0 339.483 2.254 10 30 EEEERP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001275159424 1205269872 /nfs/dbraw/zinc/26/98/72/1205269872.db2.gz CEBWMOWVRXQIJS-RTBURBONSA-N 2 0 327.472 2.235 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)CCC[NH+](C)C ZINC001275286525 1205299074 /nfs/dbraw/zinc/29/90/74/1205299074.db2.gz XXSQCYODRRBCNE-HNNXBMFYSA-N 2 0 335.879 2.128 10 30 EEEERP C(#CC[NH2+][C@@H]1CCOC12CCCC2)C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934380563 1207951459 /nfs/dbraw/zinc/95/14/59/1207951459.db2.gz CCVVXUISSOGVDP-QZTJIDSGSA-N 2 0 332.488 2.372 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037119463 1213851533 /nfs/dbraw/zinc/85/15/33/1213851533.db2.gz CSQYWLWMDBQHGW-UXHICEINSA-N 2 0 345.531 2.396 10 30 EEEERP [NH2+]=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)NC1CC1 ZINC000304750768 1216102516 /nfs/dbraw/zinc/10/25/16/1216102516.db2.gz XDJZJZYBZBHMRM-UHFFFAOYSA-N 2 0 330.476 2.124 10 30 EEEERP C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(C#N)ccn1 ZINC000902948617 1239163478 /nfs/dbraw/zinc/16/34/78/1239163478.db2.gz VAEILXQHFFKFHN-BEFAXECRSA-N 2 0 336.439 2.371 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CC2(C1)C[C@@H]([NH3+])CCO2)C(C)C ZINC001121990738 1310194315 /nfs/dbraw/zinc/19/43/15/1310194315.db2.gz HSFIXRWGKCKGHI-NRGCRIOASA-N 2 0 349.519 2.088 10 30 EEEERP CC[N@@H+](CC#Cc1ccc(Cl)cc1)CCCNC(=O)CC[NH+](C)C ZINC001490342996 1291158969 /nfs/dbraw/zinc/15/89/69/1291158969.db2.gz LWZSIWXFLKYKLE-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001277299338 1302258821 /nfs/dbraw/zinc/25/88/21/1302258821.db2.gz QIHGMOWZKQTIFK-IRXDYDNUSA-N 2 0 342.487 2.275 10 30 EEEERP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001278200708 1306285314 /nfs/dbraw/zinc/28/53/14/1306285314.db2.gz RPLBYVGBEXCSBZ-INIZCTEOSA-N 2 0 325.472 2.001 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC1=CCCCC1 ZINC001280822811 1314572586 /nfs/dbraw/zinc/57/25/86/1314572586.db2.gz QHNWHZLOIREQCB-IBGZPJMESA-N 2 0 331.504 2.365 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001279204492 1318032651 /nfs/dbraw/zinc/03/26/51/1318032651.db2.gz NQPIQEOEMFKKPV-DLBZAZTESA-N 2 0 345.487 2.442 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCC[NH+](C)C ZINC001264032033 1322592749 /nfs/dbraw/zinc/59/27/49/1322592749.db2.gz GHJLJXVFJNGRIK-NZSAHSFTSA-N 2 0 333.520 2.347 10 30 EEEERP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001265335939 1323083253 /nfs/dbraw/zinc/08/32/53/1323083253.db2.gz LKVNYGVWQFAQJR-SFHVURJKSA-N 2 0 349.519 2.036 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001265368674 1323101499 /nfs/dbraw/zinc/10/14/99/1323101499.db2.gz VXTMPYQHGBQKFZ-OALUTQOASA-N 2 0 331.504 2.291 10 30 EEEERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001265503223 1323186467 /nfs/dbraw/zinc/18/64/67/1323186467.db2.gz NATMIDDEXGBNNE-QAQDUYKDSA-N 2 0 346.450 2.166 10 30 EEEERP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001265613834 1323268183 /nfs/dbraw/zinc/26/81/83/1323268183.db2.gz XCHSIWDYICPNFO-VQTJNVASSA-N 2 0 341.499 2.207 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266074630 1323630284 /nfs/dbraw/zinc/63/02/84/1323630284.db2.gz CAFKOOBFXZGZNT-WOJBJXKFSA-N 2 0 341.499 2.397 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001279282161 1323863986 /nfs/dbraw/zinc/86/39/86/1323863986.db2.gz VDVOCNNQRAPDGQ-VJANTYMQSA-N 2 0 331.504 2.149 10 30 EEEERP CN(CCC[N@H+](C)CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCC[NH+]1C ZINC001280847981 1324570039 /nfs/dbraw/zinc/57/00/39/1324570039.db2.gz GGLUSZLLKRBNPS-LJQANCHMSA-N 2 0 345.462 2.052 10 30 EEEERP C[N@H+](CC#Cc1ccccc1)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001281969660 1325544932 /nfs/dbraw/zinc/54/49/32/1325544932.db2.gz WFYYETLNTANERO-FQEVSTJZSA-N 2 0 339.483 2.057 10 30 EEEERP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001282274837 1325674712 /nfs/dbraw/zinc/67/47/12/1325674712.db2.gz PGZQMZHHMHHPQW-CTWPCTMYSA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCC(C)C)C[C@H]32)CC1 ZINC001282884869 1325821918 /nfs/dbraw/zinc/82/19/18/1325821918.db2.gz GUARGLPMGBOXEH-OWZKRDHZSA-N 2 0 345.531 2.062 10 30 EEEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001316810967 1331906831 /nfs/dbraw/zinc/90/68/31/1331906831.db2.gz MNWLHEKVTNNHQN-IRXDYDNUSA-N 2 0 339.499 2.296 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H](C)[NH2+]CC(=C)C)CC2)CC1 ZINC001317684992 1332371965 /nfs/dbraw/zinc/37/19/65/1332371965.db2.gz VOIRCZTZJIXCLK-QGZVFWFLSA-N 2 0 331.504 2.124 10 30 EEEERP C#CCC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@@H]1C ZINC001318758087 1332589693 /nfs/dbraw/zinc/58/96/93/1332589693.db2.gz KTEZYKXFKOUYEI-ICSRJNTNSA-N 2 0 333.520 2.396 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320550502 1332908070 /nfs/dbraw/zinc/90/80/70/1332908070.db2.gz XOJFSNFHMOYPES-CABCVRRESA-N 2 0 346.450 2.024 10 30 EEEERP CC[N@H+](C)CCC(=O)N(C)CCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001322770845 1333323889 /nfs/dbraw/zinc/32/38/89/1333323889.db2.gz XXACLWWEEDWMRV-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCOCC1 ZINC001325005023 1333806130 /nfs/dbraw/zinc/80/61/30/1333806130.db2.gz DDIGPYMYEHXHCD-UHFFFAOYSA-N 2 0 349.519 2.084 10 30 EEEERP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001325052969 1333819032 /nfs/dbraw/zinc/81/90/32/1333819032.db2.gz DMVSOVMNFYNJEC-INIZCTEOSA-N 2 0 343.462 2.368 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CC=C(C)C)CC1 ZINC001326774379 1334158036 /nfs/dbraw/zinc/15/80/36/1334158036.db2.gz ZWWYYWKVLRQRRV-LJQANCHMSA-N 2 0 331.504 2.269 10 30 EEEERP C=CCOCC[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001327128348 1334228685 /nfs/dbraw/zinc/22/86/85/1334228685.db2.gz AWCHCSUDBOTHQD-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001328693731 1334500493 /nfs/dbraw/zinc/50/04/93/1334500493.db2.gz MLURMYIHEGVSEG-BHIYHBOVSA-N 2 0 327.472 2.276 10 30 EEEERP C=CCC[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001566724335 1342614691 /nfs/dbraw/zinc/61/46/91/1342614691.db2.gz HBQNGIXQRMGDCT-QAPCUYQASA-N 2 0 325.472 2.259 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CC=C(C)C)C2)CC1 ZINC001567740911 1342830071 /nfs/dbraw/zinc/83/00/71/1342830071.db2.gz GQJJXCDPROZPKV-SFHVURJKSA-N 2 0 331.504 2.078 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001569528759 1342893444 /nfs/dbraw/zinc/89/34/44/1342893444.db2.gz YHPQVXIFQDKJBF-QFBILLFUSA-N 2 0 327.472 2.354 10 30 EEEERP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C2 ZINC001569859799 1342959748 /nfs/dbraw/zinc/95/97/48/1342959748.db2.gz FPRMBGZCKWUQIT-REPLKXPHSA-N 2 0 331.504 2.101 10 30 EEEERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001570002707 1342995527 /nfs/dbraw/zinc/99/55/27/1342995527.db2.gz RVKWQGDGNSGICO-MOPGFXCFSA-N 2 0 342.487 2.227 10 30 EEEERP C[NH+](CC(=O)NCCC[N@@H+](C)Cc1ccc(C#N)s1)C1CCC1 ZINC001660169682 1354409246 /nfs/dbraw/zinc/40/92/46/1354409246.db2.gz CUABLDWFRFAOPP-UHFFFAOYSA-N 2 0 334.489 2.042 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001663928623 1355055373 /nfs/dbraw/zinc/05/53/73/1355055373.db2.gz XKSAWXPUMXKIFM-MRXNPFEDSA-N 2 0 334.489 2.041 10 30 EEEERP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001665681751 1355358307 /nfs/dbraw/zinc/35/83/07/1355358307.db2.gz MSGXHFXSAQZRLT-LJQANCHMSA-N 2 0 342.487 2.323 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001666263039 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CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC001446171247 1092230843 /nfs/dbraw/zinc/23/08/43/1092230843.db2.gz GXICGNTXMBAWQB-ZWKOTPCHSA-N 2 0 340.471 2.027 10 30 EEEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001440756805 1094000043 /nfs/dbraw/zinc/00/00/43/1094000043.db2.gz OBIJBLYSLJLFMM-HWOWSKLDSA-N 2 0 327.900 2.345 10 30 EEEERP C=C(Br)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001449086216 1094098511 /nfs/dbraw/zinc/09/85/11/1094098511.db2.gz AUZUJICKQAGJBJ-ZDUSSCGKSA-N 2 0 346.313 2.063 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001441257573 1094657262 /nfs/dbraw/zinc/65/72/62/1094657262.db2.gz HVPOASCPIRNGMP-SFHVURJKSA-N 2 0 342.487 2.227 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001441849705 1095935382 /nfs/dbraw/zinc/93/53/82/1095935382.db2.gz MYJXOQCTMDKFQK-MAUKXSAKSA-N 2 0 328.460 2.025 10 30 EEEERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001442253651 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MGLMOKFMROEBDA-SFHVURJKSA-N 2 0 341.499 2.325 10 30 EEEERP C=CC[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001493896894 1103072299 /nfs/dbraw/zinc/07/22/99/1103072299.db2.gz XJUNQKNEUOUFMA-SFHVURJKSA-N 2 0 327.472 2.496 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497831836 1103164561 /nfs/dbraw/zinc/16/45/61/1103164561.db2.gz VXFBWDZCPQRUOR-MJGOQNOKSA-N 2 0 327.472 2.007 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001498042200 1106822058 /nfs/dbraw/zinc/82/20/58/1106822058.db2.gz LCJDDMQYAXFQDS-KSSFIOAISA-N 2 0 346.450 2.164 10 30 EEEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001479453958 1110697254 /nfs/dbraw/zinc/69/72/54/1110697254.db2.gz GFPBYXZYQREOFR-GOEBONIOSA-N 2 0 333.501 2.321 10 30 EEEERP C=C(C)C[N@@H+](CCOC)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001499534812 1112349566 /nfs/dbraw/zinc/34/95/66/1112349566.db2.gz BUAZHRZXZUHQFA-UHFFFAOYSA-N 2 0 349.519 2.130 10 30 EEEERP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001499929714 1112545017 /nfs/dbraw/zinc/54/50/17/1112545017.db2.gz KPTMHHJWPMCNDY-QZTJIDSGSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001505397429 1113934965 /nfs/dbraw/zinc/93/49/65/1113934965.db2.gz FXGNOAQPXWQOGZ-LJQANCHMSA-N 2 0 333.520 2.301 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001505735012 1114158729 /nfs/dbraw/zinc/15/87/29/1114158729.db2.gz JSKJAWZKRGEWBL-ZIAGYGMSSA-N 2 0 334.439 2.022 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001507011420 1115053175 /nfs/dbraw/zinc/05/31/75/1115053175.db2.gz DDYZEGCTCHYQPB-JKSUJKDBSA-N 2 0 327.900 2.438 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507407870 1115254685 /nfs/dbraw/zinc/25/46/85/1115254685.db2.gz DGFRYLQMQJDCDJ-QZTJIDSGSA-N 2 0 333.520 2.396 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)C(C)(C)C 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CC#CC[NH2+]CCc1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001662818492 1354853084 /nfs/dbraw/zinc/85/30/84/1354853084.db2.gz KTRBFTFVWATXHS-UHFFFAOYSA-N 2 0 341.499 2.334 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001664309392 1355136483 /nfs/dbraw/zinc/13/64/83/1355136483.db2.gz ONPZPXUQZYJWSJ-UXHICEINSA-N 2 0 341.499 2.207 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001665686336 1355360613 /nfs/dbraw/zinc/36/06/13/1355360613.db2.gz HZWIYKAUZPWBTF-PKOBYXMFSA-N 2 0 331.504 2.219 10 30 EEEERP CC[C@@H](C(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)C(C)C)[NH+](C)C ZINC001667508690 1355751641 /nfs/dbraw/zinc/75/16/41/1355751641.db2.gz MTEUNFALEWUQFZ-MOPGFXCFSA-N 2 0 329.488 2.109 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CC=C(C)C)CC1 ZINC001674499407 1356847898 /nfs/dbraw/zinc/84/78/98/1356847898.db2.gz IBRDKJJMZFMYHO-LJQANCHMSA-N 2 0 331.504 2.221 10 30 EEEERP C[NH+](C)CCC(=O)NC1(C[NH2+]CC#Cc2ccccc2)CCCCC1 ZINC001675201483 1356944395 /nfs/dbraw/zinc/94/43/95/1356944395.db2.gz LQPPWXCVJUPGOT-UHFFFAOYSA-N 2 0 341.499 2.399 10 30 EEEERP C=CCCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001675421893 1356977019 /nfs/dbraw/zinc/97/70/19/1356977019.db2.gz COMCOFZUMZAKAY-QUCCMNQESA-N 2 0 349.519 2.129 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001437305595 1089460624 /nfs/dbraw/zinc/46/06/24/1089460624.db2.gz BMQOVNQCWZHGHM-JKSUJKDBSA-N 2 0 327.900 2.442 10 30 EEEERP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001438310183 1090787598 /nfs/dbraw/zinc/78/75/98/1090787598.db2.gz JELNBVGICPDOEA-CABCVRRESA-N 2 0 348.516 2.479 10 30 EEEERP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001442110271 1096335459 /nfs/dbraw/zinc/33/54/59/1096335459.db2.gz GWULQCYEBFCIHL-HNNXBMFYSA-N 2 0 346.450 2.168 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)CC#Cc1cccc(Cl)c1 ZINC001479815755 1099083989 /nfs/dbraw/zinc/08/39/89/1099083989.db2.gz MNYOFRCVKJUCBE-UHFFFAOYSA-N 2 0 349.906 2.470 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001480289714 1100000786 /nfs/dbraw/zinc/00/07/86/1100000786.db2.gz JRWLESQVFSZFDT-MRXNPFEDSA-N 2 0 339.443 2.285 10 30 EEEERP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001480703835 1106919060 /nfs/dbraw/zinc/91/90/60/1106919060.db2.gz VQOWJENUTCCFII-CVEARBPZSA-N 2 0 339.443 2.474 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001498132921 1106967437 /nfs/dbraw/zinc/96/74/37/1106967437.db2.gz SWFWKHKFFKDQIQ-INIZCTEOSA-N 2 0 345.462 2.003 10 30 EEEERP CN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001493762122 1108636652 /nfs/dbraw/zinc/63/66/52/1108636652.db2.gz QENFGTBVCGCYKH-KRWDZBQOSA-N 2 0 347.890 2.081 10 30 EEEERP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](CC2CCCC2)CC1 ZINC001500054298 1112595035 /nfs/dbraw/zinc/59/50/35/1112595035.db2.gz LLJBDGIZVDSQKN-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001500161645 1112648719 /nfs/dbraw/zinc/64/87/19/1112648719.db2.gz MPPMRWZYPBOZHK-IBGZPJMESA-N 2 0 331.504 2.056 10 30 EEEERP C=CC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1CC ZINC001501021468 1113170637 /nfs/dbraw/zinc/17/06/37/1113170637.db2.gz GWBIBIPRCAEYJE-SFHVURJKSA-N 2 0 327.472 2.278 10 30 EEEERP C[NH+](C)CCCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501612504 1113399054 /nfs/dbraw/zinc/39/90/54/1113399054.db2.gz RTYBZGGJIMNIBJ-LJQANCHMSA-N 2 0 342.487 2.228 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CC[C@H](C)F)CC1 ZINC001505465495 1114000539 /nfs/dbraw/zinc/00/05/39/1114000539.db2.gz IPZLGBJYACXMMO-WMZOPIPTSA-N 2 0 337.483 2.003 10 30 EEEERP CC#CC[NH2+]CC1CC(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001505539251 1114039983 /nfs/dbraw/zinc/03/99/83/1114039983.db2.gz AXGJZQJOGKNQBW-UHFFFAOYSA-N 2 0 331.460 2.243 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2cccc(F)c2)CC1 ZINC001505760016 1114174242 /nfs/dbraw/zinc/17/42/42/1114174242.db2.gz FFZZXKXDQRCOAK-HZPDHXFCSA-N 2 0 345.462 2.154 10 30 EEEERP C=CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001506486204 1114643439 /nfs/dbraw/zinc/64/34/39/1114643439.db2.gz BJNLOZNEZVYWBR-GOSISDBHSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001506938238 1114987627 /nfs/dbraw/zinc/98/76/27/1114987627.db2.gz NXVDMPLGIDNUHV-MOPGFXCFSA-N 2 0 341.499 2.254 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507407869 1115254662 /nfs/dbraw/zinc/25/46/62/1115254662.db2.gz DGFRYLQMQJDCDJ-MSOLQXFVSA-N 2 0 333.520 2.396 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001507426054 1115262670 /nfs/dbraw/zinc/26/26/70/1115262670.db2.gz DZHJFPZPYZLMPA-LPHOPBHVSA-N 2 0 327.472 2.260 10 30 EEEERP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC1(C)C ZINC001507441543 1115270828 /nfs/dbraw/zinc/27/08/28/1115270828.db2.gz DMGPSTXRYNKVJJ-LJQANCHMSA-N 2 0 341.499 2.254 10 30 EEEERP C=CCC[NH2+]C[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C(C)(C)C ZINC001507963341 1115381220 /nfs/dbraw/zinc/38/12/20/1115381220.db2.gz IXDGLMDPAYWKFL-MRXNPFEDSA-N 2 0 339.524 2.041 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC001508030125 1115393541 /nfs/dbraw/zinc/39/35/41/1115393541.db2.gz PEWNKWNHPJQYKC-QYZOEREBSA-N 2 0 341.499 2.086 10 30 EEEERP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001508140122 1115426220 /nfs/dbraw/zinc/42/62/20/1115426220.db2.gz FITGRQWTTGZTGA-ACBHZAAOSA-N 2 0 327.472 2.282 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)c(F)c1 ZINC001508242372 1115458569 /nfs/dbraw/zinc/45/85/69/1115458569.db2.gz NUTGBJOPGFRQMR-SFHVURJKSA-N 2 0 333.451 2.141 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568279103 1124400906 /nfs/dbraw/zinc/40/09/06/1124400906.db2.gz IWGIIWASYBKMDE-UYAOXDASSA-N 2 0 341.499 2.349 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001569152541 1125131403 /nfs/dbraw/zinc/13/14/03/1125131403.db2.gz CTMINIAMJYNZDD-KRWDZBQOSA-N 2 0 345.531 2.348 10 30 EEEERP C(#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)C[NH+]1CCC[C@H]1[C@H]1CCCO1 ZINC000366941209 466030171 /nfs/dbraw/zinc/03/01/71/466030171.db2.gz AIBLJCQBVDQYOC-JVSBHGNQSA-N 2 0 332.488 2.277 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594440896 468589405 /nfs/dbraw/zinc/58/94/05/468589405.db2.gz JDFNTOWTIFLPEZ-ROUUACIJSA-N 2 0 328.460 2.178 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673810169 485540803 /nfs/dbraw/zinc/54/08/03/485540803.db2.gz LAPSKSXGHURDHF-UHFFFAOYSA-N 2 0 340.431 2.429 10 30 EEEERP C[NH+]=C(NC[C@@H]1CCC[C@H]1O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262804965 688517541 /nfs/dbraw/zinc/51/75/41/688517541.db2.gz SGTPNLDNQCUAIL-MAUKXSAKSA-N 2 0 336.524 2.110 10 30 EEEERP C#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001266391981 1176466206 /nfs/dbraw/zinc/46/62/06/1176466206.db2.gz BFZITAKABFTCEX-MJGOQNOKSA-N 2 0 333.520 2.443 10 30 EEEERP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001266610437 1176969111 /nfs/dbraw/zinc/96/91/11/1176969111.db2.gz VBTDAWQLTIBHFU-WGSAOQKQSA-N 2 0 339.483 2.149 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCC2CCCC2)C2CC2)CC1 ZINC001267337619 1178783327 /nfs/dbraw/zinc/78/33/27/1178783327.db2.gz CETLTVIDSKHRQR-UHFFFAOYSA-N 2 0 345.531 2.493 10 30 EEEERP CC[C@H](C(=O)N(C)CC[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001267456858 1179040095 /nfs/dbraw/zinc/04/00/95/1179040095.db2.gz LMSBBFKQHCFCLL-QGZVFWFLSA-N 2 0 335.879 2.080 10 30 EEEERP C=CCOCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001481059784 1179653331 /nfs/dbraw/zinc/65/33/31/1179653331.db2.gz PIKJLEHCIFNRPH-ZWKOTPCHSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001267832253 1180602601 /nfs/dbraw/zinc/60/26/01/1180602601.db2.gz ZASGRFQKLPSXJH-BAAYTWLHSA-N 2 0 346.302 2.135 10 30 EEEERP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001481409250 1181242309 /nfs/dbraw/zinc/24/23/09/1181242309.db2.gz KWYPOGZUSKZCTL-LJQANCHMSA-N 2 0 333.520 2.443 10 30 EEEERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268067272 1181660931 /nfs/dbraw/zinc/66/09/31/1181660931.db2.gz SNIFRWBXKPMZRW-IEBWSBKVSA-N 2 0 347.478 2.155 10 30 EEEERP C=CCOCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001268224825 1182037542 /nfs/dbraw/zinc/03/75/42/1182037542.db2.gz ORDOPZRLKJEWTM-ZWKOTPCHSA-N 2 0 337.508 2.033 10 30 EEEERP C#CCC[NH2+]CCC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001482000254 1183114055 /nfs/dbraw/zinc/11/40/55/1183114055.db2.gz KCGGGIRTIMVTBC-UHFFFAOYSA-N 2 0 331.504 2.104 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc2ccccc2)CC[N@@H+]1C ZINC001482101994 1183334788 /nfs/dbraw/zinc/33/47/88/1183334788.db2.gz ICXDJLAGHNBBNN-YZGWKJHDSA-N 2 0 341.499 2.110 10 30 EEEERP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001268764732 1183680043 /nfs/dbraw/zinc/68/00/43/1183680043.db2.gz HSQZGGRXLQDJGG-ZBFHGGJFSA-N 2 0 333.501 2.321 10 30 EEEERP C=CCOCCN1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001269278850 1184130532 /nfs/dbraw/zinc/13/05/32/1184130532.db2.gz QDPFQCWVZMESQN-RTBURBONSA-N 2 0 349.519 2.177 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001270737693 1185357955 /nfs/dbraw/zinc/35/79/55/1185357955.db2.gz ROWZJRUYCUDDBQ-FPOVZHCZSA-N 2 0 345.531 2.493 10 30 EEEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001271806284 1186503901 /nfs/dbraw/zinc/50/39/01/1186503901.db2.gz LCQYKPBXEAOLCH-LJQANCHMSA-N 2 0 327.472 2.112 10 30 EEEERP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001272071325 1187384343 /nfs/dbraw/zinc/38/43/43/1187384343.db2.gz GFALZGUHVPLXRV-GVDBMIGSSA-N 2 0 325.472 2.165 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001272535565 1190870660 /nfs/dbraw/zinc/87/06/60/1190870660.db2.gz XSTBKLQSIZYQSW-HKUYNNGSSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC/C=C/CC)CC1 ZINC001483985959 1191143077 /nfs/dbraw/zinc/14/30/77/1191143077.db2.gz PQZXQYBBUOUTJF-OVKVCFKUSA-N 2 0 331.504 2.363 10 30 EEEERP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001483989012 1191144424 /nfs/dbraw/zinc/14/44/24/1191144424.db2.gz UBCKXLQVRWJMCI-ZWKOTPCHSA-N 2 0 333.520 2.301 10 30 EEEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001484116728 1191218913 /nfs/dbraw/zinc/21/89/13/1191218913.db2.gz ITOCUGHUNUDWAZ-HXUWFJFHSA-N 2 0 327.472 2.213 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001484356290 1191316447 /nfs/dbraw/zinc/31/64/47/1191316447.db2.gz BYMKXGXNWWGGST-QUCCMNQESA-N 2 0 341.499 2.205 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001273018878 1194324914 /nfs/dbraw/zinc/32/49/14/1194324914.db2.gz PSRSKLSKAZDVNB-CYBMUJFWSA-N 2 0 348.329 2.357 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000876877385 1199803385 /nfs/dbraw/zinc/80/33/85/1199803385.db2.gz UMGRWKDNJCQVFV-HNNXBMFYSA-N 2 0 327.831 2.186 10 30 EEEERP C#CCOc1ccc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)cc1 ZINC000877665191 1200015758 /nfs/dbraw/zinc/01/57/58/1200015758.db2.gz KYVHIWAJHQCRRF-UHFFFAOYSA-N 2 0 330.472 2.489 10 30 EEEERP C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868183769 1201759562 /nfs/dbraw/zinc/75/95/62/1201759562.db2.gz ASQJYLWTTSNXGR-DLBZAZTESA-N 2 0 329.448 2.200 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000886579602 1202526742 /nfs/dbraw/zinc/52/67/42/1202526742.db2.gz AIMXPMILBDRKCY-KRWDZBQOSA-N 2 0 331.504 2.197 10 30 EEEERP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001274822915 1205177044 /nfs/dbraw/zinc/17/70/44/1205177044.db2.gz WXZQDORHJQRMDW-LPHOPBHVSA-N 2 0 347.478 2.248 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CC#Cc1ccccc1 ZINC001489338960 1290522571 /nfs/dbraw/zinc/52/25/71/1290522571.db2.gz NAIWESYTYRXTNO-FQEVSTJZSA-N 2 0 341.499 2.303 10 30 EEEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001276821266 1298784636 /nfs/dbraw/zinc/78/46/36/1298784636.db2.gz SGLKTQKEALLJME-QFBILLFUSA-N 2 0 345.487 2.143 10 30 EEEERP N#CC1(c2ccccc2)CC([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC001119632364 1309144221 /nfs/dbraw/zinc/14/42/21/1309144221.db2.gz SNNPNQYYVDNHQH-UHFFFAOYSA-N 2 0 326.488 2.275 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1CC ZINC001278974634 1318892021 /nfs/dbraw/zinc/89/20/21/1318892021.db2.gz BCAIHFSBBVKFNG-LJQANCHMSA-N 2 0 327.472 2.115 10 30 EEEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001279089651 1319228847 /nfs/dbraw/zinc/22/88/47/1319228847.db2.gz KETRFMLMPHPNTQ-QGZVFWFLSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[N@H+](C[C@@H]1CCCOC1)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001262019527 1322222979 /nfs/dbraw/zinc/22/29/79/1322222979.db2.gz USUREIFEGNVIOF-OALUTQOASA-N 2 0 334.504 2.239 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001263832050 1322531539 /nfs/dbraw/zinc/53/15/39/1322531539.db2.gz IJRZLDOPXKPVCP-KURKYZTESA-N 2 0 331.504 2.149 10 30 EEEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001265407134 1323135580 /nfs/dbraw/zinc/13/55/80/1323135580.db2.gz RDEIBAFQOZYJRT-GDAAHCPNSA-N 2 0 331.504 2.358 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001279282159 1323863960 /nfs/dbraw/zinc/86/39/60/1323863960.db2.gz VDVOCNNQRAPDGQ-NCXUSEDFSA-N 2 0 331.504 2.149 10 30 EEEERP C=CCC[N@@H+]1CCc2c(CNC(=O)C[NH+]3CCCC3)cccc2C1 ZINC001280426790 1324218482 /nfs/dbraw/zinc/21/84/82/1324218482.db2.gz GBRLDFTTXMSZRF-UHFFFAOYSA-N 2 0 327.472 2.333 10 30 EEEERP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001281776588 1325449295 /nfs/dbraw/zinc/44/92/95/1325449295.db2.gz OEBIDPXWGGYFTD-LJQANCHMSA-N 2 0 327.472 2.067 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2csc(C)c2)CC1 ZINC001282244194 1325667376 /nfs/dbraw/zinc/66/73/76/1325667376.db2.gz ZEGZXTQEHYGTAC-HOTGVXAUSA-N 2 0 347.528 2.385 10 30 EEEERP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001282944349 1325846106 /nfs/dbraw/zinc/84/61/06/1325846106.db2.gz AJTCETMXUBJWKG-GBESFXJTSA-N 2 0 345.531 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C[NH2+]CC2CCCC2)C2CC2)CC1 ZINC001283557110 1326130012 /nfs/dbraw/zinc/13/00/12/1326130012.db2.gz OMDUXMSQFPKHIG-FQEVSTJZSA-N 2 0 345.531 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001283721398 1326218914 /nfs/dbraw/zinc/21/89/14/1326218914.db2.gz IENYGKKYUMBVDU-GOSISDBHSA-N 2 0 341.499 2.277 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCC(C)C)C[C@H]2C)CC1 ZINC001284033284 1326372708 /nfs/dbraw/zinc/37/27/08/1326372708.db2.gz OHXVVPNPMPLUDQ-MJGOQNOKSA-N 2 0 333.520 2.347 10 30 EEEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001491966020 1330361322 /nfs/dbraw/zinc/36/13/22/1330361322.db2.gz WZZJEMWBUCWOOI-RBUKOAKNSA-N 2 0 333.520 2.443 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001316727580 1331844052 /nfs/dbraw/zinc/84/40/52/1331844052.db2.gz NJHPAJKIIOTZNP-HUUCEWRRSA-N 2 0 347.425 2.275 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(=C)C)CC1 ZINC001316709731 1331858480 /nfs/dbraw/zinc/85/84/80/1331858480.db2.gz VMBLZGAMJGAAQH-MJGOQNOKSA-N 2 0 331.504 2.124 10 30 EEEERP C#CCC[NH+]1CC[C@@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317788023 1332409066 /nfs/dbraw/zinc/40/90/66/1332409066.db2.gz HTLKIAYBQCWVMH-QGZVFWFLSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001319889278 1332792940 /nfs/dbraw/zinc/79/29/40/1332792940.db2.gz TZRJBRNWUBLPBO-MOPGFXCFSA-N 2 0 333.520 2.301 10 30 EEEERP CN(CCC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001322569445 1333285423 /nfs/dbraw/zinc/28/54/23/1333285423.db2.gz KTWHEMTXUQGILS-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1CC[NH+](C(C)C)CC1 ZINC001324431933 1333681292 /nfs/dbraw/zinc/68/12/92/1333681292.db2.gz KPJUAMXMIAOJMW-UHFFFAOYSA-N 2 0 333.520 2.441 10 30 EEEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001324791521 1333760703 /nfs/dbraw/zinc/76/07/03/1333760703.db2.gz WTHPWLXZAJOQGF-OAQYLSRUSA-N 2 0 341.499 2.256 10 30 EEEERP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001324812958 1333765425 /nfs/dbraw/zinc/76/54/25/1333765425.db2.gz KCQPRRLPEKWSND-FPOVZHCZSA-N 2 0 341.499 2.207 10 30 EEEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001326488859 1334103299 /nfs/dbraw/zinc/10/32/99/1334103299.db2.gz APNPWXSNTACRAU-QFBILLFUSA-N 2 0 327.472 2.461 10 30 EEEERP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001328808134 1334525939 /nfs/dbraw/zinc/52/59/39/1334525939.db2.gz NPLGFQWNTXESQK-VQTJNVASSA-N 2 0 345.531 2.446 10 30 EEEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC001329290941 1334621356 /nfs/dbraw/zinc/62/13/56/1334621356.db2.gz SCZKJRIKHLPFEQ-INIZCTEOSA-N 2 0 333.480 2.050 10 30 EEEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C(F)(F)F ZINC001333021377 1335949225 /nfs/dbraw/zinc/94/92/25/1335949225.db2.gz OMDXSOJCHQDBAN-KBPBESRZSA-N 2 0 347.425 2.273 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)CC1 ZINC001357158639 1338967913 /nfs/dbraw/zinc/96/79/13/1338967913.db2.gz CGBYMGAMFUODNP-LZLYRXPVSA-N 2 0 334.508 2.009 10 30 EEEERP CN(CCC[NH2+]CC#Cc1ccccc1Cl)C(=O)CCC[NH+](C)C ZINC001670228877 1356299805 /nfs/dbraw/zinc/29/98/05/1356299805.db2.gz YGHINTWMWIOADA-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001567052568 1342686810 /nfs/dbraw/zinc/68/68/10/1342686810.db2.gz GIBKGOFNAUWRGC-APWZRJJASA-N 2 0 347.478 2.392 10 30 EEEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CCCC1 ZINC001569610722 1342907884 /nfs/dbraw/zinc/90/78/84/1342907884.db2.gz WOWIYNZMTKFUDI-RTBURBONSA-N 2 0 333.520 2.396 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC001571462742 1343213474 /nfs/dbraw/zinc/21/34/74/1343213474.db2.gz JJNPAGNXYHZUAB-APWZRJJASA-N 2 0 327.472 2.007 10 30 EEEERP C[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC001571480106 1343217104 /nfs/dbraw/zinc/21/71/04/1343217104.db2.gz ZTKUHSVUWORRHL-HKUYNNGSSA-N 2 0 339.483 2.101 10 30 EEEERP C=CCOCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001571502100 1343220365 /nfs/dbraw/zinc/22/03/65/1343220365.db2.gz ZZIZTDVGQOYHHR-QWFCFKBJSA-N 2 0 349.519 2.175 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001661823141 1354703433 /nfs/dbraw/zinc/70/34/33/1354703433.db2.gz LOCVIJDGTZYDEA-GOSISDBHSA-N 2 0 327.472 2.213 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](CC(=C)C)C2)CC1 ZINC001664687862 1355212270 /nfs/dbraw/zinc/21/22/70/1355212270.db2.gz YEBWNQILLLBBGJ-LJQANCHMSA-N 2 0 331.504 2.221 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001666897612 1355611078 /nfs/dbraw/zinc/61/10/78/1355611078.db2.gz HBUHPIYIRYIPQO-QUCCMNQESA-N 2 0 341.499 2.347 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001672376939 1356511277 /nfs/dbraw/zinc/51/12/77/1356511277.db2.gz NOSXGXRAUVZWBM-WGSAOQKQSA-N 2 0 333.520 2.254 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001698840592 1405101513 /nfs/dbraw/zinc/10/15/13/1405101513.db2.gz MOBFFDXCQBVRTR-YJBOKZPZSA-N 2 0 347.890 2.222 10 30 EEEERP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001698948368 1405178334 /nfs/dbraw/zinc/17/83/34/1405178334.db2.gz VTKNBMDYJZOLMM-LPHOPBHVSA-N 2 0 327.472 2.212 10 30 EEEERP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743526 779231177 /nfs/dbraw/zinc/23/11/77/779231177.db2.gz CCPHQIVFQIRMCZ-MJGOQNOKSA-N 2 0 345.531 2.491 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940852903 779436955 /nfs/dbraw/zinc/43/69/55/779436955.db2.gz HNNAWNCFTCDJBF-GOSISDBHSA-N 2 0 338.455 2.496 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000914066324 794809225 /nfs/dbraw/zinc/80/92/25/794809225.db2.gz STTBVBFYRYBNQP-IBGZPJMESA-N 2 0 348.535 2.140 10 30 EEEERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001437901447 1090482157 /nfs/dbraw/zinc/48/21/57/1090482157.db2.gz CDZBZTTZMKVNAF-IBGZPJMESA-N 2 0 342.487 2.323 10 30 EEEERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001438525030 1091017365 /nfs/dbraw/zinc/01/73/65/1091017365.db2.gz XWKYXXHZEHYGKI-KDOFPFPSSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001439687734 1092632788 /nfs/dbraw/zinc/63/27/88/1092632788.db2.gz SKSLUGHOMIWGNX-HOTGVXAUSA-N 2 0 327.900 2.394 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001441524225 1095227384 /nfs/dbraw/zinc/22/73/84/1095227384.db2.gz OPXBXSZFHXRWTD-VQIMIIECSA-N 2 0 342.487 2.369 10 30 EEEERP C[C@@H](CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001441657035 1095622242 /nfs/dbraw/zinc/62/22/42/1095622242.db2.gz HZYXWFZNMGAOJP-INIZCTEOSA-N 2 0 330.476 2.036 10 30 EEEERP C#CC[NH2+]C[C@]1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCC[C@H]1C ZINC001495325091 1101032534 /nfs/dbraw/zinc/03/25/34/1101032534.db2.gz LMWGBACBNMVHJE-DYESRHJHSA-N 2 0 345.531 2.396 10 30 EEEERP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001480703840 1106919902 /nfs/dbraw/zinc/91/99/02/1106919902.db2.gz VQOWJENUTCCFII-HZPDHXFCSA-N 2 0 339.443 2.474 10 30 EEEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC001501668637 1113424248 /nfs/dbraw/zinc/42/42/48/1113424248.db2.gz IRACQIPTPJVRIX-UHFFFAOYSA-N 2 0 327.472 2.100 10 30 EEEERP C#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001502404747 1113668783 /nfs/dbraw/zinc/66/87/83/1113668783.db2.gz MQXNILBZZQCRQN-RBUKOAKNSA-N 2 0 333.520 2.302 10 30 EEEERP C=CCC[C@H](C)[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001503700297 1113900877 /nfs/dbraw/zinc/90/08/77/1113900877.db2.gz HFFQOWFXVMIGDC-ZWKOTPCHSA-N 2 0 349.519 2.129 10 30 EEEERP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001506741616 1114853036 /nfs/dbraw/zinc/85/30/36/1114853036.db2.gz IJHPMJPBNLMNCY-HZPDHXFCSA-N 2 0 327.488 2.459 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC001507037788 1115074505 /nfs/dbraw/zinc/07/45/05/1115074505.db2.gz YLBYSZLCVZPSQQ-LJQANCHMSA-N 2 0 342.487 2.225 10 30 EEEERP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001507444068 1115272443 /nfs/dbraw/zinc/27/24/43/1115272443.db2.gz VIUZLBWFPULBHD-GOSISDBHSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](CCCCC)C3)CC2)CC1 ZINC001568253732 1124388351 /nfs/dbraw/zinc/38/83/51/1124388351.db2.gz OGTAXTBLEKZFLV-UHFFFAOYSA-N 2 0 345.531 2.446 10 30 EEEERP Cc1cc(C#N)ccc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000122752167 292275637 /nfs/dbraw/zinc/27/56/37/292275637.db2.gz ATHSJONYMRONHD-UHFFFAOYSA-N 2 0 330.476 2.212 10 30 EEEERP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)C(=O)NCC[NH+](C)C ZINC000347163413 466442536 /nfs/dbraw/zinc/44/25/36/466442536.db2.gz JAJTWBBIWAGLOW-KDOFPFPSSA-N 2 0 348.466 2.440 10 30 EEEERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437210 468587015 /nfs/dbraw/zinc/58/70/15/468587015.db2.gz JFRXRYCHTFTACX-BPQIPLTHSA-N 2 0 328.460 2.349 10 30 EEEERP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1[O-] ZINC000925042096 682665624 /nfs/dbraw/zinc/66/56/24/682665624.db2.gz RSCJUZYGTXOBOJ-LPHOPBHVSA-N 2 0 342.487 2.473 10 30 EEEERP [NH2+]=C(NCC1CCC1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000262488182 686348408 /nfs/dbraw/zinc/34/84/08/686348408.db2.gz TZGVSROLTSJOAV-UHFFFAOYSA-N 2 0 332.414 2.496 10 30 EEEERP CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NC1CC[NH+](C2CCCC2)CC1 ZINC000262805324 688518180 /nfs/dbraw/zinc/51/81/80/688518180.db2.gz SKMOJNHCNMVDJH-YJBOKZPZSA-N 2 0 336.524 2.110 10 30 EEEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001485649032 1191869961 /nfs/dbraw/zinc/86/99/61/1191869961.db2.gz DYQGRNWKCOQSNO-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP CC#CC[NH2+][C@H](CCNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001485787104 1191952583 /nfs/dbraw/zinc/95/25/83/1191952583.db2.gz SFJBYEPTIPFDGG-GOSISDBHSA-N 2 0 326.444 2.400 10 30 EEEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485812133 1191973170 /nfs/dbraw/zinc/97/31/70/1191973170.db2.gz ULJWTLKOTOEWEM-UYAOXDASSA-N 2 0 345.531 2.491 10 30 EEEERP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691402255 1178011529 /nfs/dbraw/zinc/01/15/29/1178011529.db2.gz ITMXBKFKZIFQFB-MAUKXSAKSA-N 2 0 325.472 2.308 10 30 EEEERP CC#CC[NH+](CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C1CC1 ZINC001267336303 1178780497 /nfs/dbraw/zinc/78/04/97/1178780497.db2.gz LXVAXPRJQBDMNK-LJQANCHMSA-N 2 0 327.472 2.283 10 30 EEEERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC#Cc1ccccc1 ZINC001268000581 1180951749 /nfs/dbraw/zinc/95/17/49/1180951749.db2.gz MYFXIZCLSMKYDC-HBFSDRIKSA-N 2 0 341.499 2.110 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001481365951 1181134193 /nfs/dbraw/zinc/13/41/93/1181134193.db2.gz UUDJXDHONXATTE-MOPGFXCFSA-N 2 0 327.472 2.331 10 30 EEEERP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001481409249 1181242486 /nfs/dbraw/zinc/24/24/86/1181242486.db2.gz KWYPOGZUSKZCTL-IBGZPJMESA-N 2 0 333.520 2.443 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001481461423 1181450899 /nfs/dbraw/zinc/45/08/99/1181450899.db2.gz CDXUWIXLHGFKCA-FQEVSTJZSA-N 2 0 341.499 2.207 10 30 EEEERP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001481514854 1181619498 /nfs/dbraw/zinc/61/94/98/1181619498.db2.gz RJTNLRJTYBSZBJ-IBGZPJMESA-N 2 0 331.504 2.197 10 30 EEEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001269838666 1184657618 /nfs/dbraw/zinc/65/76/18/1184657618.db2.gz HXZUHBMUSSNXNM-VQIMIIECSA-N 2 0 349.519 2.127 10 30 EEEERP C#CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCC=C)CC1 ZINC001270364429 1185048931 /nfs/dbraw/zinc/04/89/31/1185048931.db2.gz PAQHLNKOWXDZNI-ROUUACIJSA-N 2 0 331.504 2.362 10 30 EEEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001270363895 1185048958 /nfs/dbraw/zinc/04/89/58/1185048958.db2.gz KJIJBJOPIFSYOQ-AATRIKPKSA-N 2 0 331.504 2.365 10 30 EEEERP C#CCN(C(=O)Cn1ccnc1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001270368646 1185052473 /nfs/dbraw/zinc/05/24/73/1185052473.db2.gz GYLMGDMEWUFIBW-UHFFFAOYSA-N 2 0 342.487 2.390 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC#CC)C2CCCCC2)CC1 ZINC001482412200 1185643522 /nfs/dbraw/zinc/64/35/22/1185643522.db2.gz DPENAKPUZAUGBE-HXUWFJFHSA-N 2 0 343.515 2.010 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001271218283 1186087759 /nfs/dbraw/zinc/08/77/59/1186087759.db2.gz YCBCBPNIWJYQKR-INIZCTEOSA-N 2 0 333.520 2.204 10 30 EEEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001485836511 1193596192 /nfs/dbraw/zinc/59/61/92/1193596192.db2.gz CIKHJBBFRKPKGN-MOPGFXCFSA-N 2 0 333.520 2.347 10 30 EEEERP C=C(Br)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001409787342 1190617151 /nfs/dbraw/zinc/61/71/51/1190617151.db2.gz SDNAAPAXNBMWRO-UHFFFAOYSA-N 2 0 346.313 2.255 10 30 EEEERP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC#Cc2cccc(Cl)c2)CC1 ZINC001483781127 1191025148 /nfs/dbraw/zinc/02/51/48/1191025148.db2.gz GWSKPKZTLLAURY-UHFFFAOYSA-N 2 0 347.890 2.272 10 30 EEEERP C#CCN(C(=O)CCC[NH+]1CCCC1)C1CC[NH+](CCCF)CC1 ZINC001483989339 1191144618 /nfs/dbraw/zinc/14/46/18/1191144618.db2.gz GKKSMGIOTORXIW-UHFFFAOYSA-N 2 0 337.483 2.148 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001484143715 1191233148 /nfs/dbraw/zinc/23/31/48/1191233148.db2.gz OUEQOWHRMAICOT-ROUUACIJSA-N 2 0 331.504 2.245 10 30 EEEERP C=CCCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCOCC1 ZINC001484186484 1191264385 /nfs/dbraw/zinc/26/43/85/1191264385.db2.gz ZXGYDNDMUXKIIJ-UHFFFAOYSA-N 2 0 337.508 2.082 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001484519820 1191394237 /nfs/dbraw/zinc/39/42/37/1191394237.db2.gz BFZPBIRVWOKMQW-HZPDHXFCSA-N 2 0 327.900 2.440 10 30 EEEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001484569344 1191423384 /nfs/dbraw/zinc/42/33/84/1191423384.db2.gz BEEXPZNYLXGVOS-WKILWMFISA-N 2 0 339.443 2.332 10 30 EEEERP C#CCC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CCC1 ZINC001484658500 1191460256 /nfs/dbraw/zinc/46/02/56/1191460256.db2.gz FDMIJNBMVGDJOE-GOSISDBHSA-N 2 0 327.472 2.331 10 30 EEEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001272692470 1191576901 /nfs/dbraw/zinc/57/69/01/1191576901.db2.gz VGJDTTLMUFKSCK-UZLBHIALSA-N 2 0 339.483 2.319 10 30 EEEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001485102948 1191652432 /nfs/dbraw/zinc/65/24/32/1191652432.db2.gz YCJDBNSJUKCYLY-JTTJXQCZSA-N 2 0 325.472 2.259 10 30 EEEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001486182851 1193701768 /nfs/dbraw/zinc/70/17/68/1193701768.db2.gz AEQOXBULHZTBLG-FUHWJXTLSA-N 2 0 337.508 2.033 10 30 EEEERP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001275073038 1205249315 /nfs/dbraw/zinc/24/93/15/1205249315.db2.gz VORFTPDHNJLZKH-YFVAEKQCSA-N 2 0 339.483 2.256 10 30 EEEERP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001275182996 1205276277 /nfs/dbraw/zinc/27/62/77/1205276277.db2.gz AWILKACSMXAXIG-WOJBJXKFSA-N 2 0 345.531 2.446 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1CC ZINC001275574424 1205423831 /nfs/dbraw/zinc/42/38/31/1205423831.db2.gz WMDULMKAIDYWPC-XLIONFOSSA-N 2 0 341.499 2.283 10 30 EEEERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)c(F)c1 ZINC000925852528 1206160959 /nfs/dbraw/zinc/16/09/59/1206160959.db2.gz CLZVCTOMLQJMIS-IUODEOHRSA-N 2 0 331.391 2.033 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000928649348 1206407276 /nfs/dbraw/zinc/40/72/76/1206407276.db2.gz HYGXHQDNWFSELT-IBGZPJMESA-N 2 0 339.483 2.323 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000928657938 1206408694 /nfs/dbraw/zinc/40/86/94/1206408694.db2.gz FXFYFFZGOUHEKW-IBGZPJMESA-N 2 0 327.472 2.283 10 30 EEEERP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001490902670 1254315575 /nfs/dbraw/zinc/31/55/75/1254315575.db2.gz PJOICCFRGJYTJI-MGPQQGTHSA-N 2 0 344.297 2.006 10 30 EEEERP C=CCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)O2 ZINC001273668670 1282843608 /nfs/dbraw/zinc/84/36/08/1282843608.db2.gz FZXULUVZIBSINB-SFHVURJKSA-N 2 0 349.519 2.034 10 30 EEEERP C[N@@H+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490279546 1291106599 /nfs/dbraw/zinc/10/65/99/1291106599.db2.gz JHQZLNXFTKOWBP-QGZVFWFLSA-N 2 0 347.890 2.081 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001490302432 1291137274 /nfs/dbraw/zinc/13/72/74/1291137274.db2.gz ICHYTPVWJLGKCC-HUUCEWRRSA-N 2 0 325.884 2.194 10 30 EEEERP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001490761357 1291691587 /nfs/dbraw/zinc/69/15/87/1291691587.db2.gz BABVQGYXVSQNAW-RBUKOAKNSA-N 2 0 333.520 2.301 10 30 EEEERP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001490773338 1291716358 /nfs/dbraw/zinc/71/63/58/1291716358.db2.gz ZORXMFIQDZWCTM-HOCLYGCPSA-N 2 0 327.900 2.251 10 30 EEEERP C[C@@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000852865517 1292220085 /nfs/dbraw/zinc/22/00/85/1292220085.db2.gz GBUMYLYOOOATMD-YLJYHZDGSA-N 2 0 339.483 2.159 10 30 EEEERP C[N@@H+]1CCC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000852869642 1292221580 /nfs/dbraw/zinc/22/15/80/1292221580.db2.gz DBTWSEBKGXNRMN-APWZRJJASA-N 2 0 345.512 2.250 10 30 EEEERP CCC[N@H+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001277234531 1301941106 /nfs/dbraw/zinc/94/11/06/1301941106.db2.gz XNUJKBVCDNAPIV-UHFFFAOYSA-N 2 0 345.462 2.148 10 30 EEEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001277393980 1302824230 /nfs/dbraw/zinc/82/42/30/1302824230.db2.gz VZKOWKNHIIZOQQ-QGZVFWFLSA-N 2 0 331.504 2.055 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001277655940 1304111322 /nfs/dbraw/zinc/11/13/22/1304111322.db2.gz VEQZAHQRBMUZDX-VQTJNVASSA-N 2 0 345.531 2.491 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCC=C)CC1 ZINC001278151765 1306113375 /nfs/dbraw/zinc/11/33/75/1306113375.db2.gz WYQHJESYGDPJNL-IBGZPJMESA-N 2 0 331.504 2.362 10 30 EEEERP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CCC2CC2)CC1 ZINC001278194461 1306244915 /nfs/dbraw/zinc/24/49/15/1306244915.db2.gz NLBJTOBZCDNXSP-UHFFFAOYSA-N 2 0 345.531 2.445 10 30 EEEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001278550775 1317216950 /nfs/dbraw/zinc/21/69/50/1317216950.db2.gz ZBQIUOOONIKKCY-ZWKOTPCHSA-N 2 0 325.472 2.213 10 30 EEEERP C#CC[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001264680323 1322781596 /nfs/dbraw/zinc/78/15/96/1322781596.db2.gz WDLXJCXQOVGBIM-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001265682213 1323318305 /nfs/dbraw/zinc/31/83/05/1323318305.db2.gz NGKBLAQLVDGPOS-MAUKXSAKSA-N 2 0 325.472 2.356 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001266056321 1323606907 /nfs/dbraw/zinc/60/69/07/1323606907.db2.gz NRYVLUNIWQHTBP-SJORKVTESA-N 2 0 347.507 2.042 10 30 EEEERP C#CCC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001266086630 1323644002 /nfs/dbraw/zinc/64/40/02/1323644002.db2.gz VWWRQCQSZHPJGR-PXNSSMCTSA-N 2 0 341.499 2.189 10 30 EEEERP C=CCC[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCOCC1 ZINC001281266018 1324923787 /nfs/dbraw/zinc/92/37/87/1324923787.db2.gz JNKYKFLXGAUOJU-KRWDZBQOSA-N 2 0 337.508 2.082 10 30 EEEERP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCOCC1 ZINC001281282934 1324932403 /nfs/dbraw/zinc/93/24/03/1324932403.db2.gz LNEGQMTWBVJYSQ-HKUYNNGSSA-N 2 0 349.519 2.082 10 30 EEEERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001317092800 1332075861 /nfs/dbraw/zinc/07/58/61/1332075861.db2.gz IKZMXFONMKUWOT-MXVIHJGJSA-N 2 0 339.483 2.151 10 30 EEEERP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317857251 1332433558 /nfs/dbraw/zinc/43/35/58/1332433558.db2.gz PGVZYQXFODFSBK-UYAOXDASSA-N 2 0 341.499 2.483 10 30 EEEERP CN(CCC[NH2+]CC#Cc1ccccc1)C(=O)C12CCC[NH+]1CCC2 ZINC001322590607 1333289485 /nfs/dbraw/zinc/28/94/85/1333289485.db2.gz GDPZWZDDVOBXRY-UHFFFAOYSA-N 2 0 339.483 2.105 10 30 EEEERP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001324869166 1333777661 /nfs/dbraw/zinc/77/76/61/1333777661.db2.gz OFYSXXCEGZTHGP-SFHVURJKSA-N 2 0 331.504 2.245 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001326225215 1334048068 /nfs/dbraw/zinc/04/80/68/1334048068.db2.gz SQSGAHXFUGVQMI-YOEHRIQHSA-N 2 0 346.500 2.042 10 30 EEEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)c1cc([C@H]2CCCN2C)[nH]n1 ZINC001329290945 1334621315 /nfs/dbraw/zinc/62/13/15/1334621315.db2.gz SCZKJRIKHLPFEQ-MRXNPFEDSA-N 2 0 333.480 2.050 10 30 EEEERP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001329740498 1334706153 /nfs/dbraw/zinc/70/61/53/1334706153.db2.gz DFVWBNXTPWDHIH-RBUKOAKNSA-N 2 0 333.520 2.489 10 30 EEEERP C#CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001330207673 1334804004 /nfs/dbraw/zinc/80/40/04/1334804004.db2.gz BIJPLVKOZUZTRO-QGZVFWFLSA-N 2 0 333.520 2.489 10 30 EEEERP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC001330428192 1334842499 /nfs/dbraw/zinc/84/24/99/1334842499.db2.gz LSQWJBGTXURSML-VQIMIIECSA-N 2 0 345.487 2.143 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001332469982 1335830728 /nfs/dbraw/zinc/83/07/28/1335830728.db2.gz IPCHJGOTJOVJGX-CABCVRRESA-N 2 0 347.425 2.275 10 30 EEEERP CC#CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC001332881344 1335924292 /nfs/dbraw/zinc/92/42/92/1335924292.db2.gz JHJOBVNQLSPCJR-GOSISDBHSA-N 2 0 333.520 2.252 10 30 EEEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567177197 1342705714 /nfs/dbraw/zinc/70/57/14/1342705714.db2.gz SNKSHHNDLQRIJI-RBUKOAKNSA-N 2 0 331.504 2.149 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2CCC2)C2CCCC2)CC1 ZINC001569613161 1342908547 /nfs/dbraw/zinc/90/85/47/1342908547.db2.gz BLCBVRTVWVOAIZ-HXUWFJFHSA-N 2 0 345.531 2.396 10 30 EEEERP C=CCOCC[NH2+]C1(C)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001570387923 1343063415 /nfs/dbraw/zinc/06/34/15/1343063415.db2.gz UQWWPQNVJDXWTH-IRXDYDNUSA-N 2 0 337.508 2.033 10 30 EEEERP C=CCOCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001571332036 1343185283 /nfs/dbraw/zinc/18/52/83/1343185283.db2.gz QDZAUWZGVCQNDV-MOPGFXCFSA-N 2 0 349.519 2.129 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001676976296 1357253645 /nfs/dbraw/zinc/25/36/45/1357253645.db2.gz VNBQSSFJQADFPW-HKUYNNGSSA-N 2 0 331.504 2.006 10 30 EEEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001656571860 1354249005 /nfs/dbraw/zinc/24/90/05/1354249005.db2.gz VZEWMYYCZDEPHA-JTDSTZFVSA-N 2 0 337.483 2.049 10 30 EEEERP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001656664744 1354261549 /nfs/dbraw/zinc/26/15/49/1354261549.db2.gz FWPYGUZBUKQDJT-AQNXPRMDSA-N 2 0 341.499 2.324 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC2=CCCCC2)CC1 ZINC001660408918 1354460219 /nfs/dbraw/zinc/46/02/19/1354460219.db2.gz REYHKIINCJIION-UHFFFAOYSA-N 2 0 331.504 2.270 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001664309391 1355136337 /nfs/dbraw/zinc/13/63/37/1355136337.db2.gz ONPZPXUQZYJWSJ-PMACEKPBSA-N 2 0 341.499 2.207 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)CC[NH+](C)C ZINC001666982788 1355626971 /nfs/dbraw/zinc/62/69/71/1355626971.db2.gz MLGNJJJKBLGRKQ-OAHLLOKOSA-N 2 0 335.879 2.080 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668173188 1355891290 /nfs/dbraw/zinc/89/12/90/1355891290.db2.gz CRRNZUHLLCETQH-APWZRJJASA-N 2 0 345.462 2.146 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001672830836 1356595029 /nfs/dbraw/zinc/59/50/29/1356595029.db2.gz NESJDGPKRPBIMZ-SFHVURJKSA-N 2 0 333.520 2.350 10 30 EEEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001673601024 1356716495 /nfs/dbraw/zinc/71/64/95/1356716495.db2.gz BVKPDRBFBJYRJC-GOSISDBHSA-N 2 0 333.520 2.491 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001674499957 1356849290 /nfs/dbraw/zinc/84/92/90/1356849290.db2.gz SVXUIAHYQIIJME-LJQANCHMSA-N 2 0 327.472 2.308 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C1CCCC1 ZINC001699788322 1405485327 /nfs/dbraw/zinc/48/53/27/1405485327.db2.gz BAGDMOVKTWAMOH-MRXNPFEDSA-N 2 0 333.501 2.321 10 30 EEEERP C#CCN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000914099805 794874237 /nfs/dbraw/zinc/87/42/37/794874237.db2.gz KLKPJRGXZJBZAM-GOSISDBHSA-N 2 0 348.535 2.380 10 30 EEEERP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000921716662 795600656 /nfs/dbraw/zinc/60/06/56/795600656.db2.gz ODGUTMSHKVANIE-UHFFFAOYSA-N 2 0 342.487 2.207 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001437005670 1088774735 /nfs/dbraw/zinc/77/47/35/1088774735.db2.gz CEYBIGPPACPLFQ-XHSDSOJGSA-N 2 0 327.900 2.297 10 30 EEEERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001437382366 1089630774 /nfs/dbraw/zinc/63/07/74/1089630774.db2.gz LAROEPVIJMGAGA-CRAIPNDOSA-N 2 0 328.460 2.027 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC001438300968 1090780967 /nfs/dbraw/zinc/78/09/67/1090780967.db2.gz LWIHCKKFAFRWAF-YOEHRIQHSA-N 2 0 348.516 2.479 10 30 EEEERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001440800700 1094045503 /nfs/dbraw/zinc/04/55/03/1094045503.db2.gz RFGHOQFILQEIQS-GJZGRUSLSA-N 2 0 328.460 2.025 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001449405752 1094387027 /nfs/dbraw/zinc/38/70/27/1094387027.db2.gz SBURMUUBQDPXNP-UHFFFAOYSA-N 2 0 334.489 2.039 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001480238787 1099870690 /nfs/dbraw/zinc/87/06/90/1099870690.db2.gz XFQFQFKPDBKTKS-YTQUADARSA-N 2 0 333.520 2.251 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001497843820 1103181579 /nfs/dbraw/zinc/18/15/79/1103181579.db2.gz ZQQSOQHDEIIGES-QUCCMNQESA-N 2 0 341.499 2.253 10 30 EEEERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001447817256 1103378807 /nfs/dbraw/zinc/37/88/07/1103378807.db2.gz AOIXPXDNEUNEGI-UHFFFAOYSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494030450 1103387828 /nfs/dbraw/zinc/38/78/28/1103387828.db2.gz OTFZGERFMBDJTI-MRXNPFEDSA-N 2 0 339.911 2.443 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C1CCCC1 ZINC001500106576 1112620013 /nfs/dbraw/zinc/62/00/13/1112620013.db2.gz HQBCUTIEOSWBPG-FQEVSTJZSA-N 2 0 341.499 2.254 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC[C@H](C)F)CC1 ZINC001505465492 1114000697 /nfs/dbraw/zinc/00/06/97/1114000697.db2.gz IPZLGBJYACXMMO-FUHWJXTLSA-N 2 0 337.483 2.003 10 30 EEEERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001505677245 1114125705 /nfs/dbraw/zinc/12/57/05/1114125705.db2.gz FWOUDOYGOCSSBT-UONOGXRCSA-N 2 0 334.439 2.022 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001506722358 1114831954 /nfs/dbraw/zinc/83/19/54/1114831954.db2.gz OSKMABXKKVXTBI-IEBWSBKVSA-N 2 0 349.519 2.129 10 30 EEEERP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001506854460 1114918831 /nfs/dbraw/zinc/91/88/31/1114918831.db2.gz LPWZGIINBPGFOA-IPMKNSEASA-N 2 0 345.531 2.348 10 30 EEEERP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C[NH+]1CCC(C)CC1 ZINC001506970988 1115021364 /nfs/dbraw/zinc/02/13/64/1115021364.db2.gz DOKDIIAWQXEYCJ-UHFFFAOYSA-N 2 0 341.499 2.360 10 30 EEEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001507362665 1115222990 /nfs/dbraw/zinc/22/29/90/1115222990.db2.gz IIKUOSLBZXDTIG-RCCFBDPRSA-N 2 0 331.504 2.265 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001507364937 1115225039 /nfs/dbraw/zinc/22/50/39/1115225039.db2.gz QMAFJLYNOYIKAW-SLFFLAALSA-N 2 0 345.531 2.493 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001568969094 1125006510 /nfs/dbraw/zinc/00/65/10/1125006510.db2.gz IABZFNGRDLWCNY-SNAWJCMRSA-N 2 0 347.890 2.294 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000594449325 468593849 /nfs/dbraw/zinc/59/38/49/468593849.db2.gz GNLSHYGNJBXFLA-IPMKNSEASA-N 2 0 340.471 2.131 10 30 EEEERP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000600721951 468634843 /nfs/dbraw/zinc/63/48/43/468634843.db2.gz OCFKAVIFAYIATB-OALUTQOASA-N 2 0 327.472 2.195 10 30 EEEERP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCN2C2CCCCC2)CCOCC1 ZINC000600751665 468647856 /nfs/dbraw/zinc/64/78/56/468647856.db2.gz SAJSAXJIUKMMRJ-ROUUACIJSA-N 2 0 335.492 2.054 10 30 EEEERP C=CC[C@]1(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CCC[NH2+]1 ZINC000662799937 472257801 /nfs/dbraw/zinc/25/78/01/472257801.db2.gz AXHJGHYWJMSOGW-OXQOHEQNSA-N 2 0 342.487 2.422 10 30 EEEERP C=C(C[NH+](C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000764507989 577737823 /nfs/dbraw/zinc/73/78/23/577737823.db2.gz LDBPQKJLNSFRRA-YQQQUEKLSA-N 2 0 327.472 2.416 10 30 EEEERP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262331100 679138455 /nfs/dbraw/zinc/13/84/55/679138455.db2.gz AZDHYVMBYWQLIE-AKONKWBKSA-N 2 0 348.535 2.370 10 30 EEEERP C#CCN(C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914314349 683480924 /nfs/dbraw/zinc/48/09/24/683480924.db2.gz RZFKDXHTHCANNP-FXAWDEMLSA-N 2 0 348.535 2.236 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000896208597 684903318 /nfs/dbraw/zinc/90/33/18/684903318.db2.gz JPMKEDMOCJSLNS-OALUTQOASA-N 2 0 327.472 2.446 10 30 EEEERP C=C(Br)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001266980386 1177978572 /nfs/dbraw/zinc/97/85/72/1177978572.db2.gz UIQZEAXGXKINID-KGLIPLIRSA-N 2 0 346.313 2.063 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267092644 1178222046 /nfs/dbraw/zinc/22/20/46/1178222046.db2.gz DTIUOZJXCJMHAQ-PMACEKPBSA-N 2 0 341.499 2.395 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001267524659 1179263189 /nfs/dbraw/zinc/26/31/89/1179263189.db2.gz DVIKFMPWSSVTGR-LJQANCHMSA-N 2 0 327.472 2.189 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](C)CCC(=C)C)CC2)CC1 ZINC001267604019 1179715476 /nfs/dbraw/zinc/71/54/76/1179715476.db2.gz GMSRMMZIJPOKLB-UHFFFAOYSA-N 2 0 345.531 2.468 10 30 EEEERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(C#N)cc1 ZINC001481358016 1181116413 /nfs/dbraw/zinc/11/64/13/1181116413.db2.gz JHSWSIDPQLDWJE-IBGZPJMESA-N 2 0 342.487 2.227 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001481432762 1181322329 /nfs/dbraw/zinc/32/23/29/1181322329.db2.gz PQWPNLUZMHHCIR-HOTGVXAUSA-N 2 0 327.900 2.440 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001481432763 1181322454 /nfs/dbraw/zinc/32/24/54/1181322454.db2.gz PQWPNLUZMHHCIR-HZPDHXFCSA-N 2 0 327.900 2.440 10 30 EEEERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001691496146 1181610143 /nfs/dbraw/zinc/61/01/43/1181610143.db2.gz MDVXFYULRMVWIU-RBUKOAKNSA-N 2 0 345.462 2.098 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC001268123110 1181770634 /nfs/dbraw/zinc/77/06/34/1181770634.db2.gz KXZBVLLMCANTQY-HXUWFJFHSA-N 2 0 345.531 2.396 10 30 EEEERP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cc(F)ccc1C#N ZINC001481820252 1182748078 /nfs/dbraw/zinc/74/80/78/1182748078.db2.gz LFSRYODEKHJJPF-KRWDZBQOSA-N 2 0 346.450 2.166 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001482031682 1183170962 /nfs/dbraw/zinc/17/09/62/1183170962.db2.gz WSTKUCOBDWIAJN-HXUWFJFHSA-N 2 0 339.483 2.433 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001482172861 1183499646 /nfs/dbraw/zinc/49/96/46/1183499646.db2.gz ZPXREHOZJIZMPG-SFHVURJKSA-N 2 0 341.499 2.182 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001268716747 1183634932 /nfs/dbraw/zinc/63/49/32/1183634932.db2.gz KLWCPIZTOMIJCK-JXFKEZNVSA-N 2 0 339.483 2.113 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269800175 1184628558 /nfs/dbraw/zinc/62/85/58/1184628558.db2.gz YZPJPZMTUCAOBH-RTBURBONSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001284738121 1184753061 /nfs/dbraw/zinc/75/30/61/1184753061.db2.gz SPRYUTNQQQZFSJ-KGLIPLIRSA-N 2 0 335.414 2.272 10 30 EEEERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001270419613 1185090137 /nfs/dbraw/zinc/09/01/37/1185090137.db2.gz LFPGWIJDOIVRDH-MRXNPFEDSA-N 2 0 345.462 2.003 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C1CCCC1 ZINC001270433664 1185096447 /nfs/dbraw/zinc/09/64/47/1185096447.db2.gz WDTXZYFHKKJOBR-FQEVSTJZSA-N 2 0 341.499 2.302 10 30 EEEERP CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)C)[NH+](C)C ZINC001482564390 1186845493 /nfs/dbraw/zinc/84/54/93/1186845493.db2.gz BZHSERKJGLRRFV-QZTJIDSGSA-N 2 0 348.466 2.268 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001482665323 1187543697 /nfs/dbraw/zinc/54/36/97/1187543697.db2.gz JGHPPFQPIREMIM-RTBURBONSA-N 2 0 331.504 2.199 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001483197943 1189083705 /nfs/dbraw/zinc/08/37/05/1189083705.db2.gz SXQAEGLSFUUOMA-CRAIPNDOSA-N 2 0 328.460 2.027 10 30 EEEERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001409406283 1189633963 /nfs/dbraw/zinc/63/39/63/1189633963.db2.gz LRKHWCBNJFMHMW-KBPBESRZSA-N 2 0 346.450 2.022 10 30 EEEERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)CN(C)CC#Cc1ccccc1 ZINC001483343897 1190377588 /nfs/dbraw/zinc/37/75/88/1190377588.db2.gz LABXMXQQAYKHMC-HKUYNNGSSA-N 2 0 347.478 2.155 10 30 EEEERP C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001486120519 1193687593 /nfs/dbraw/zinc/68/75/93/1193687593.db2.gz CBQIWRXYHWNFHV-NVXWUHKLSA-N 2 0 347.890 2.222 10 30 EEEERP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001484093218 1191207592 /nfs/dbraw/zinc/20/75/92/1191207592.db2.gz FOHZITPISDQOOD-PXNSSMCTSA-N 2 0 331.504 2.102 10 30 EEEERP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)C12CCC[NH+]1CCC2 ZINC001484398986 1191331475 /nfs/dbraw/zinc/33/14/75/1191331475.db2.gz RWBCPOTVUXVOTG-UHFFFAOYSA-N 2 0 339.483 2.257 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001486211062 1193751542 /nfs/dbraw/zinc/75/15/42/1193751542.db2.gz SJVGEUPWMSHJOH-KDOFPFPSSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001273204585 1197518597 /nfs/dbraw/zinc/51/85/97/1197518597.db2.gz LWBJBTXVYBNYRB-WZMONFQBSA-N 2 0 346.302 2.135 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000876725473 1199741195 /nfs/dbraw/zinc/74/11/95/1199741195.db2.gz JWFBEIWLKFNTSH-INIZCTEOSA-N 2 0 337.851 2.052 10 30 EEEERP CC#CC[NH2+]C1(C)CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001274339379 1205002217 /nfs/dbraw/zinc/00/22/17/1205002217.db2.gz HASINJXODOVGSU-UHFFFAOYSA-N 2 0 333.501 2.417 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001275038587 1205241638 /nfs/dbraw/zinc/24/16/38/1205241638.db2.gz LQUZLVDINXZWNC-CVEARBPZSA-N 2 0 345.462 2.326 10 30 EEEERP C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001275542127 1205403493 /nfs/dbraw/zinc/40/34/93/1205403493.db2.gz RUKWEJJBWATNSE-DLBZAZTESA-N 2 0 347.478 2.392 10 30 EEEERP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C34CCCC4)CC2)nc1 ZINC000925610021 1206135598 /nfs/dbraw/zinc/13/55/98/1206135598.db2.gz YMJALIRRZPJWDQ-KRWDZBQOSA-N 2 0 325.460 2.186 10 30 EEEERP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304649867 1216082378 /nfs/dbraw/zinc/08/23/78/1216082378.db2.gz GHWHQMRTTGQBCT-MRXNPFEDSA-N 2 0 330.476 2.403 10 30 EEEERP CC#CC[N@H+](CCCNC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001490387905 1291275661 /nfs/dbraw/zinc/27/56/61/1291275661.db2.gz RGNMFBKOEYMZCB-UHFFFAOYSA-N 2 0 327.472 2.356 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CC#Cc1ccccc1 ZINC001265073318 1322907619 /nfs/dbraw/zinc/90/76/19/1322907619.db2.gz WZPOJHIOPZYOOQ-RTBURBONSA-N 2 0 341.499 2.349 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001265235977 1323002496 /nfs/dbraw/zinc/00/24/96/1323002496.db2.gz ZTTDTZWTDQHVPY-IEBWSBKVSA-N 2 0 331.504 2.267 10 30 EEEERP C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001265798765 1323386650 /nfs/dbraw/zinc/38/66/50/1323386650.db2.gz KINUPNWXMSZOIH-GJZGRUSLSA-N 2 0 327.432 2.330 10 30 EEEERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC#Cc1ccccc1Cl ZINC001265815708 1323395956 /nfs/dbraw/zinc/39/59/56/1323395956.db2.gz FUOXOBRHHRCNRM-OAHLLOKOSA-N 2 0 347.890 2.128 10 30 EEEERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001265852220 1323426858 /nfs/dbraw/zinc/42/68/58/1323426858.db2.gz XVFHXWCQOYTMMT-HZPDHXFCSA-N 2 0 347.890 2.128 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[NH+]1CCCC1 ZINC001283278435 1325985501 /nfs/dbraw/zinc/98/55/01/1325985501.db2.gz MEAPLFSNYTXFGQ-HNNXBMFYSA-N 2 0 346.450 2.168 10 30 EEEERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001317280110 1332163459 /nfs/dbraw/zinc/16/34/59/1332163459.db2.gz PESGTNRHCUFRDF-CRAIPNDOSA-N 2 0 349.906 2.372 10 30 EEEERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001317413456 1332219017 /nfs/dbraw/zinc/21/90/17/1332219017.db2.gz BHSDZWDZTIHPKT-WBVHZDCISA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@@H+](C[C@H](C)CC)C2)CC1 ZINC001317811908 1332417429 /nfs/dbraw/zinc/41/74/29/1332417429.db2.gz SEGGNMRYPZYOSW-QZTJIDSGSA-N 2 0 333.520 2.206 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001322088816 1333207062 /nfs/dbraw/zinc/20/70/62/1333207062.db2.gz OWLCIZNPENNEIG-HKUYNNGSSA-N 2 0 327.472 2.007 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001323098427 1333385340 /nfs/dbraw/zinc/38/53/40/1333385340.db2.gz CKYVLMUBUDZVIA-PMACEKPBSA-N 2 0 341.499 2.109 10 30 EEEERP CC[C@@H](C(=O)NCC1([NH2+]CC#Cc2ccc(Cl)cc2)CC1)[NH+](C)C ZINC001323540912 1333484915 /nfs/dbraw/zinc/48/49/15/1333484915.db2.gz FWHALXQVRMPJFT-KRWDZBQOSA-N 2 0 347.890 2.270 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001324232418 1333639604 /nfs/dbraw/zinc/63/96/04/1333639604.db2.gz BKWQZPUNOGUHNW-ZCNNSNEGSA-N 2 0 341.499 2.489 10 30 EEEERP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001325901865 1333991104 /nfs/dbraw/zinc/99/11/04/1333991104.db2.gz ZIONYXGGSQCVKK-RBUKOAKNSA-N 2 0 331.504 2.340 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001327148201 1334234705 /nfs/dbraw/zinc/23/47/05/1334234705.db2.gz QZUDQFNDIKECLM-IBGZPJMESA-N 2 0 345.462 2.100 10 30 EEEERP C#CC[NH+]1CCC(CCCCCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327501090 1334302985 /nfs/dbraw/zinc/30/29/85/1334302985.db2.gz VYPBLSULCIPTGL-UHFFFAOYSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001501424890 1342189335 /nfs/dbraw/zinc/18/93/35/1342189335.db2.gz MQVZHKLLIICLAS-RBUKOAKNSA-N 2 0 333.520 2.445 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001563454017 1342545392 /nfs/dbraw/zinc/54/53/92/1342545392.db2.gz WXFXMPIUICKAGN-FGTMMUONSA-N 2 0 336.524 2.419 10 30 EEEERP C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001660309794 1354437157 /nfs/dbraw/zinc/43/71/57/1354437157.db2.gz WIMFJCMFGYGKBP-MOPGFXCFSA-N 2 0 329.488 2.346 10 30 EEEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCN1CCOCC1 ZINC001660464779 1354468593 /nfs/dbraw/zinc/46/85/93/1354468593.db2.gz LVHXHDSDRDOZFC-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001663120291 1354921263 /nfs/dbraw/zinc/92/12/63/1354921263.db2.gz SJPHEPKTSFITCK-IBGZPJMESA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001667420792 1355738738 /nfs/dbraw/zinc/73/87/38/1355738738.db2.gz DFZIQCNERKJVHY-RBUKOAKNSA-N 2 0 331.504 2.197 10 30 EEEERP CC[C@@H](C(=O)NC[C@H]([NH2+]CC#Cc1ccccc1)C(C)C)[NH+](C)C ZINC001667508691 1355752056 /nfs/dbraw/zinc/75/20/56/1355752056.db2.gz MTEUNFALEWUQFZ-OALUTQOASA-N 2 0 329.488 2.109 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001668066169 1355861382 /nfs/dbraw/zinc/86/13/82/1355861382.db2.gz VLCTUNQFSYMGSZ-HZSPNIEDSA-N 2 0 346.313 2.110 10 30 EEEERP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001668517471 1355955925 /nfs/dbraw/zinc/95/59/25/1355955925.db2.gz YJOUQYBZTOJINH-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP CCC[N@H+](C)CC(=O)N(CC)CC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001668623038 1355974173 /nfs/dbraw/zinc/97/41/73/1355974173.db2.gz HVQMPFYCBAJVAW-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP CN(CCC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001670041836 1356266103 /nfs/dbraw/zinc/26/61/03/1356266103.db2.gz JZUVQLUAKAFUAN-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](CC(=C)C)CC1 ZINC001671477026 1356346025 /nfs/dbraw/zinc/34/60/25/1356346025.db2.gz FXZQRPZZEHHLQF-RBUKOAKNSA-N 2 0 331.504 2.219 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CCCCC)C2)CC1 ZINC001671816648 1356421113 /nfs/dbraw/zinc/42/11/13/1356421113.db2.gz YRVQXPWFKDMUNO-FQEVSTJZSA-N 2 0 333.520 2.350 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001672916208 1356613953 /nfs/dbraw/zinc/61/39/53/1356613953.db2.gz OJFYSDBUQLFHDW-CVEARBPZSA-N 2 0 327.900 2.442 10 30 EEEERP C#CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001699689976 1405444026 /nfs/dbraw/zinc/44/40/26/1405444026.db2.gz YDXWHIBQRKCSRQ-QGZVFWFLSA-N 2 0 331.504 2.055 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000921221444 773229366 /nfs/dbraw/zinc/22/93/66/773229366.db2.gz QNNSCTYRFADQEP-UHFFFAOYSA-N 2 0 346.519 2.180 10 30 EEEERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(C#N)c3)cn2)CC1 ZINC000921542207 789132751 /nfs/dbraw/zinc/13/27/51/789132751.db2.gz PKVXYWNGVUJPMN-UHFFFAOYSA-N 2 0 341.484 2.446 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H](C)[NH2+]CCC2CC2)CC1 ZINC001566533162 1125703002 /nfs/dbraw/zinc/70/30/02/1125703002.db2.gz CWEKRKANZUAEPT-FXAWDEMLSA-N 2 0 345.531 2.491 10 30 EEEERP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445573114 1091352090 /nfs/dbraw/zinc/35/20/90/1091352090.db2.gz PYLJBVIUQZJGHP-YJBOKZPZSA-N 2 0 328.460 2.027 10 30 EEEERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001445652356 1091440799 /nfs/dbraw/zinc/44/07/99/1091440799.db2.gz BVYGHZPAXZFIJS-QFBILLFUSA-N 2 0 342.487 2.273 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001445909404 1091833245 /nfs/dbraw/zinc/83/32/45/1091833245.db2.gz YQIOFAFRCWMSMA-RHSMWYFYSA-N 2 0 348.516 2.336 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001441876499 1095997976 /nfs/dbraw/zinc/99/79/76/1095997976.db2.gz NVFVYZJGILPNRX-QFBILLFUSA-N 2 0 342.487 2.273 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001480122232 1099685718 /nfs/dbraw/zinc/68/57/18/1099685718.db2.gz XGMJDDTWETVZHD-SFHVURJKSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001480382946 1100177251 /nfs/dbraw/zinc/17/72/51/1100177251.db2.gz MEOYSFMNGFEGSF-UYAOXDASSA-N 2 0 341.499 2.011 10 30 EEEERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001480527934 1100357794 /nfs/dbraw/zinc/35/77/94/1100357794.db2.gz YFBJAFMKFMIYLW-YCPHGPKFSA-N 2 0 346.450 2.022 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC[NH2+]CC3CCC3)CC2)CC1 ZINC001495443749 1101158416 /nfs/dbraw/zinc/15/84/16/1101158416.db2.gz GRMVFIZFTOFIKI-UHFFFAOYSA-N 2 0 345.531 2.350 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001497766098 1103065926 /nfs/dbraw/zinc/06/59/26/1103065926.db2.gz UCXIJAPODMWZPF-SMJNTDKHSA-N 2 0 339.483 2.173 10 30 EEEERP CN(CCC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001498568040 1107735094 /nfs/dbraw/zinc/73/50/94/1107735094.db2.gz NXTLAVDJVVHLIR-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP C=CCOCC[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001493832718 1108715284 /nfs/dbraw/zinc/71/52/84/1108715284.db2.gz SHTOILGMZIJCBG-KRWDZBQOSA-N 2 0 349.519 2.034 10 30 EEEERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001501145873 1113214547 /nfs/dbraw/zinc/21/45/47/1113214547.db2.gz GWDRSZZSZDFJRQ-LPHOPBHVSA-N 2 0 342.487 2.084 10 30 EEEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)CCC[NH+]1CCCC1 ZINC001501671404 1113426504 /nfs/dbraw/zinc/42/65/04/1113426504.db2.gz XLDMQHMWTVHTLN-UHFFFAOYSA-N 2 0 327.472 2.244 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001506894257 1114956149 /nfs/dbraw/zinc/95/61/49/1114956149.db2.gz ZYEAYNQZIYDTCQ-SAABIXHNSA-N 2 0 329.488 2.465 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001507426053 1115262746 /nfs/dbraw/zinc/26/27/46/1115262746.db2.gz DZHJFPZPYZLMPA-APWZRJJASA-N 2 0 327.472 2.260 10 30 EEEERP C=C(Cl)CN(C)CCCNC(=O)c1cc(CN2CCCC2)on1 ZINC001566491435 1124244940 /nfs/dbraw/zinc/24/49/40/1124244940.db2.gz XCGOLRJJDCBJBQ-UHFFFAOYSA-N 2 0 340.855 2.075 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001568407688 1124477505 /nfs/dbraw/zinc/47/75/05/1124477505.db2.gz TUDDXZNWUVSRMA-QZTJIDSGSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001569163459 1125137105 /nfs/dbraw/zinc/13/71/05/1125137105.db2.gz JICGNOXCPCLZAZ-MSOLQXFVSA-N 2 0 333.520 2.396 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000594441290 468589304 /nfs/dbraw/zinc/58/93/04/468589304.db2.gz QNISHEXNUHMVBE-QZTJIDSGSA-N 2 0 328.460 2.351 10 30 EEEERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594443885 468590212 /nfs/dbraw/zinc/59/02/12/468590212.db2.gz WNHLGFQDUKTHJB-YJBOKZPZSA-N 2 0 343.475 2.134 10 30 EEEERP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715775 468630799 /nfs/dbraw/zinc/63/07/99/468630799.db2.gz ILHCJBGXIWKZPK-KURKYZTESA-N 2 0 337.508 2.015 10 30 EEEERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594924542 468723685 /nfs/dbraw/zinc/72/36/85/468723685.db2.gz JQCZIRBUINTKJX-QGZVFWFLSA-N 2 0 326.488 2.357 10 30 EEEERP C=CC[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662684019 472205167 /nfs/dbraw/zinc/20/51/67/472205167.db2.gz ABBHKUDFSRQCGO-UYAOXDASSA-N 2 0 327.472 2.466 10 30 EEEERP C=CC[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662683996 472205254 /nfs/dbraw/zinc/20/52/54/472205254.db2.gz ABBHKUDFSRQCGO-AZUAARDMSA-N 2 0 327.472 2.466 10 30 EEEERP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001485568936 1191838292 /nfs/dbraw/zinc/83/82/92/1191838292.db2.gz BZHRHABHRVOPRL-QGZVFWFLSA-N 2 0 333.520 2.489 10 30 EEEERP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CCO1 ZINC001485638999 1191866018 /nfs/dbraw/zinc/86/60/18/1191866018.db2.gz ANZRRWLRLPDRON-NVXWUHKLSA-N 2 0 337.508 2.031 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001485727559 1191919354 /nfs/dbraw/zinc/91/93/54/1191919354.db2.gz MLSRUZVEJUEDEH-RHSMWYFYSA-N 2 0 348.516 2.479 10 30 EEEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001272701140 1191960332 /nfs/dbraw/zinc/96/03/32/1191960332.db2.gz UBCJVYDTEFFJLP-INIZCTEOSA-N 2 0 327.472 2.319 10 30 EEEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001481334894 1181059870 /nfs/dbraw/zinc/05/98/70/1181059870.db2.gz BECLEYQNZYVSKU-HKUYNNGSSA-N 2 0 333.520 2.348 10 30 EEEERP C[C@@H](CN(C)CC#Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001268760714 1183681160 /nfs/dbraw/zinc/68/11/60/1183681160.db2.gz XBWJNRPEDVTLTJ-IBGZPJMESA-N 2 0 341.499 2.351 10 30 EEEERP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001270262974 1184967965 /nfs/dbraw/zinc/96/79/65/1184967965.db2.gz AIATZSBFAMVKLM-QRVBRYPASA-N 2 0 327.472 2.098 10 30 EEEERP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001270359042 1185044220 /nfs/dbraw/zinc/04/42/20/1185044220.db2.gz QOGCONCFNJBTGS-GOSISDBHSA-N 2 0 343.515 2.363 10 30 EEEERP C#CC[NH+]1CC2(C1)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)CC2 ZINC001270851544 1185464048 /nfs/dbraw/zinc/46/40/48/1185464048.db2.gz NRGQKBUXRASAIY-UHFFFAOYSA-N 2 0 331.504 2.056 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC#CC)C2CCCCC2)CC1 ZINC001482412199 1185643418 /nfs/dbraw/zinc/64/34/18/1185643418.db2.gz DPENAKPUZAUGBE-FQEVSTJZSA-N 2 0 343.515 2.010 10 30 EEEERP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001271878277 1186572508 /nfs/dbraw/zinc/57/25/08/1186572508.db2.gz RAAZOWNPXITIJF-RBUKOAKNSA-N 2 0 345.462 2.002 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+][C@H](C)CCC=C)CC1 ZINC001671383967 1187160234 /nfs/dbraw/zinc/16/02/34/1187160234.db2.gz HWQRNKZADIJCCT-MJGOQNOKSA-N 2 0 331.504 2.267 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001425645866 1189641456 /nfs/dbraw/zinc/64/14/56/1189641456.db2.gz CKLPKEAJTYONBD-CZUORRHYSA-N 2 0 333.879 2.388 10 30 EEEERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001409477292 1189811054 /nfs/dbraw/zinc/81/10/54/1189811054.db2.gz SPSLSTBDXJLDEY-DLBZAZTESA-N 2 0 342.487 2.417 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001483986732 1191143187 /nfs/dbraw/zinc/14/31/87/1191143187.db2.gz QJWJBVGZWMHCLX-QGZVFWFLSA-N 2 0 337.483 2.003 10 30 EEEERP C#CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](CCC=C)CC1 ZINC001483987217 1191143441 /nfs/dbraw/zinc/14/34/41/1191143441.db2.gz ICBMVFHRSAZHCK-UHFFFAOYSA-N 2 0 333.520 2.467 10 30 EEEERP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CC2CCC2)CC1 ZINC001483988310 1191143980 /nfs/dbraw/zinc/14/39/80/1191143980.db2.gz WHKVUIMEUKPAKZ-UHFFFAOYSA-N 2 0 345.531 2.445 10 30 EEEERP C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CCC2CC2)CC1 ZINC001483988212 1191144012 /nfs/dbraw/zinc/14/40/12/1191144012.db2.gz SYPYDHNXIVYTID-UHFFFAOYSA-N 2 0 345.531 2.445 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1CC ZINC001484322603 1191304343 /nfs/dbraw/zinc/30/43/43/1191304343.db2.gz APKVOVKUSUWOEL-POAQFYNOSA-N 2 0 341.499 2.359 10 30 EEEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001484818951 1191539249 /nfs/dbraw/zinc/53/92/49/1191539249.db2.gz FBYHXXTZIQOHJZ-QZTJIDSGSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001410436059 1197887022 /nfs/dbraw/zinc/88/70/22/1197887022.db2.gz JKBFPUNPTQEOJO-CYBMUJFWSA-N 2 0 346.313 2.206 10 30 EEEERP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001446018793 1205511609 /nfs/dbraw/zinc/51/16/09/1205511609.db2.gz USAPOGWDNWMKNP-UONOGXRCSA-N 2 0 346.313 2.063 10 30 EEEERP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CCn3c(C)ncc3C2)CCCCC1 ZINC001276227481 1205843806 /nfs/dbraw/zinc/84/38/06/1205843806.db2.gz UMHIRFHLCKLZGB-QGZVFWFLSA-N 2 0 342.487 2.186 10 30 EEEERP C[NH+]1CCC(C#N)(NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000900609457 1234558134 /nfs/dbraw/zinc/55/81/34/1234558134.db2.gz YSWVUDDULBZAQU-UHFFFAOYSA-N 2 0 325.416 2.009 10 30 EEEERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001490947901 1258501474 /nfs/dbraw/zinc/50/14/74/1258501474.db2.gz CJNHLMCIRJDEAD-QAQDUYKDSA-N 2 0 346.450 2.166 10 30 EEEERP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001490761355 1291690466 /nfs/dbraw/zinc/69/04/66/1291690466.db2.gz BABVQGYXVSQNAW-MOPGFXCFSA-N 2 0 333.520 2.301 10 30 EEEERP C[C@@H]([NH2+]C(C)(C)CNC(=O)C#CC1CC[NH2+]CC1)c1ccccc1 ZINC000852865496 1292220600 /nfs/dbraw/zinc/22/06/00/1292220600.db2.gz FHQZFKVAQZNSPN-MRXNPFEDSA-N 2 0 327.472 2.235 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001278200343 1306283896 /nfs/dbraw/zinc/28/38/96/1306283896.db2.gz DOYACVWMXZBRCD-GOSISDBHSA-N 2 0 345.531 2.301 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001278615517 1317371713 /nfs/dbraw/zinc/37/17/13/1317371713.db2.gz JCXIRSPJFUMNEQ-SFHVURJKSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001264194520 1322661343 /nfs/dbraw/zinc/66/13/43/1322661343.db2.gz AJOIFTRYFHXSQK-DLBZAZTESA-N 2 0 339.524 2.136 10 30 EEEERP C#CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001264586540 1322741062 /nfs/dbraw/zinc/74/10/62/1322741062.db2.gz RAHIXCUYNJPNSQ-YZGWKJHDSA-N 2 0 345.531 2.491 10 30 EEEERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001264728074 1322793243 /nfs/dbraw/zinc/79/32/43/1322793243.db2.gz AXMHVSNZESSKDH-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP C#CCC[NH+]1CCc2c(CNC(=O)CC[N@@H+](C)CC)cccc2C1 ZINC001280427146 1324219269 /nfs/dbraw/zinc/21/92/69/1324219269.db2.gz UHXKVJSTPCSTSE-UHFFFAOYSA-N 2 0 327.472 2.026 10 30 EEEERP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001281979512 1325553871 /nfs/dbraw/zinc/55/38/71/1325553871.db2.gz AWRWQRLWACOLKF-IBGZPJMESA-N 2 0 333.520 2.302 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001282242147 1325666303 /nfs/dbraw/zinc/66/63/03/1325666303.db2.gz QKWULIGGDLVQLJ-HZPDHXFCSA-N 2 0 333.520 2.251 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001284244350 1326472896 /nfs/dbraw/zinc/47/28/96/1326472896.db2.gz JJLJVAUIOLWPBO-JKSUJKDBSA-N 2 0 331.460 2.243 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001491834643 1330268479 /nfs/dbraw/zinc/26/84/79/1330268479.db2.gz KUFGEQGULBNJJF-MAUKXSAKSA-N 2 0 325.472 2.213 10 30 EEEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001491929256 1330319046 /nfs/dbraw/zinc/31/90/46/1330319046.db2.gz NENSNJFSIDWGPF-MRXNPFEDSA-N 2 0 333.501 2.369 10 30 EEEERP C[C@@H]1[C@H](C(=O)NCCN(C)CC#Cc2ccccc2Cl)CC[N@@H+]1C ZINC001492256380 1331117398 /nfs/dbraw/zinc/11/73/98/1331117398.db2.gz BSRNSKACUZQYIT-NVXWUHKLSA-N 2 0 347.890 2.080 10 30 EEEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317157495 1332104218 /nfs/dbraw/zinc/10/42/18/1332104218.db2.gz JBXHWSGPKIFJDH-YJBOKZPZSA-N 2 0 325.472 2.213 10 30 EEEERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317282757 1332164273 /nfs/dbraw/zinc/16/42/73/1332164273.db2.gz KFAHRMYGOWNUDA-NVXWUHKLSA-N 2 0 347.890 2.128 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317598172 1332318184 /nfs/dbraw/zinc/31/81/84/1332318184.db2.gz OMQUWXFYKPYOKB-LJQANCHMSA-N 2 0 345.462 2.100 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001320189377 1332846336 /nfs/dbraw/zinc/84/63/36/1332846336.db2.gz PLCXCAUBUFQHFP-RDJZCZTQSA-N 2 0 331.460 2.243 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001320531864 1332904955 /nfs/dbraw/zinc/90/49/55/1332904955.db2.gz ZROAHMFRDZJZAB-CQSZACIVSA-N 2 0 346.450 2.024 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001321990061 1333191201 /nfs/dbraw/zinc/19/12/01/1333191201.db2.gz FLJWRYIFISYEQG-INIZCTEOSA-N 2 0 347.478 2.249 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC)[C@@H](CC)C2)CC1 ZINC001323166460 1333401876 /nfs/dbraw/zinc/40/18/76/1333401876.db2.gz CDCDYSXCEDECNE-HKUYNNGSSA-N 2 0 333.520 2.348 10 30 EEEERP CC(C)(C(=O)N1CCC(N(CC#N)CC2CC2)CC1)[NH+]1CCCCC1 ZINC001323733320 1333526924 /nfs/dbraw/zinc/52/69/24/1333526924.db2.gz FMTXOJIOMJTAFN-UHFFFAOYSA-N 2 0 346.519 2.477 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001325437863 1333886163 /nfs/dbraw/zinc/88/61/63/1333886163.db2.gz MEATZXAYTGRDOK-QUCCMNQESA-N 2 0 341.499 2.207 10 30 EEEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001325708904 1333945168 /nfs/dbraw/zinc/94/51/68/1333945168.db2.gz XWZVRQXHXAERTC-FQEVSTJZSA-N 2 0 327.472 2.277 10 30 EEEERP C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001328127956 1334401787 /nfs/dbraw/zinc/40/17/87/1334401787.db2.gz LVCMGYMMLFHJKI-UHFFFAOYSA-N 2 0 329.488 2.274 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]CCC(F)(F)F)CC1 ZINC001330988409 1334941737 /nfs/dbraw/zinc/94/17/37/1334941737.db2.gz OAVOHMOOPWRLQK-AWEZNQCLSA-N 2 0 347.425 2.159 10 30 EEEERP C#CCC[NH2+]CCC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001331177438 1334976462 /nfs/dbraw/zinc/97/64/62/1334976462.db2.gz UQQGCELGCFQMMH-RBUKOAKNSA-N 2 0 327.472 2.189 10 30 EEEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001566740207 1342619850 /nfs/dbraw/zinc/61/98/50/1342619850.db2.gz SENMZSDOOIYPAW-HKUYNNGSSA-N 2 0 333.520 2.465 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001566909561 1342650502 /nfs/dbraw/zinc/65/05/02/1342650502.db2.gz ZXRTZNDCSPQUFX-HXUWFJFHSA-N 2 0 341.499 2.208 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001569597477 1342905936 /nfs/dbraw/zinc/90/59/36/1342905936.db2.gz GAJMXUWLMJWAIO-PMACEKPBSA-N 2 0 335.451 2.314 10 30 EEEERP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001570973077 1343144643 /nfs/dbraw/zinc/14/46/43/1343144643.db2.gz KQVGQTXFYXIJRL-IAGOWNOFSA-N 2 0 337.508 2.033 10 30 EEEERP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001571650709 1343262939 /nfs/dbraw/zinc/26/29/39/1343262939.db2.gz COFIULTTXLYHGG-PKOBYXMFSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001676976301 1357253769 /nfs/dbraw/zinc/25/37/69/1357253769.db2.gz VNBQSSFJQADFPW-MJGOQNOKSA-N 2 0 331.504 2.006 10 30 EEEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001649458981 1353516712 /nfs/dbraw/zinc/51/67/12/1353516712.db2.gz RBINJRNGDFFSRH-RBUKOAKNSA-N 2 0 349.519 2.177 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001662780335 1354845229 /nfs/dbraw/zinc/84/52/29/1354845229.db2.gz XWHIUJMABIIXBH-WOJBJXKFSA-N 2 0 341.499 2.445 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001664835763 1355239364 /nfs/dbraw/zinc/23/93/64/1355239364.db2.gz LZMMSSFKWMFNQY-APWZRJJASA-N 2 0 337.483 2.003 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001664835766 1355239623 /nfs/dbraw/zinc/23/96/23/1355239623.db2.gz LZMMSSFKWMFNQY-VQIMIIECSA-N 2 0 337.483 2.003 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001669572068 1356176616 /nfs/dbraw/zinc/17/66/16/1356176616.db2.gz MBRWNGTVHNPXNF-PKOBYXMFSA-N 2 0 327.472 2.007 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2Cl)CC1 ZINC001669750459 1356203109 /nfs/dbraw/zinc/20/31/09/1356203109.db2.gz KTLNEJPYWYCWBP-HNNXBMFYSA-N 2 0 347.890 2.280 10 30 EEEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001671491922 1356348846 /nfs/dbraw/zinc/34/88/46/1356348846.db2.gz KYEUJGICSQBZQJ-FQEVSTJZSA-N 2 0 341.499 2.453 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1CC ZINC001672177148 1356474288 /nfs/dbraw/zinc/47/42/88/1356474288.db2.gz SBOLFHMLLQGZLR-RTBURBONSA-N 2 0 327.472 2.113 10 30 EEEERP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001673650093 1356727033 /nfs/dbraw/zinc/72/70/33/1356727033.db2.gz DRXFCPFGGNFBLD-FQEVSTJZSA-N 2 0 331.504 2.200 10 30 EEEERP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001675185109 1356943078 /nfs/dbraw/zinc/94/30/78/1356943078.db2.gz IUNZDEAYWVDADV-MSOLQXFVSA-N 2 0 331.504 2.435 10 30 EEEERP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@]2(C)C1 ZINC001675689193 1357036879 /nfs/dbraw/zinc/03/68/79/1357036879.db2.gz YAVUMUNAMJUGMO-YTQUADARSA-N 2 0 339.499 2.413 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001675916007 1357068791 /nfs/dbraw/zinc/06/87/91/1357068791.db2.gz RHWTUGMEXSCARJ-INIZCTEOSA-N 2 0 342.487 2.417 10 30 EEEERP CCC[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001698772113 1405052867 /nfs/dbraw/zinc/05/28/67/1405052867.db2.gz LQCPESJCTIBXHY-MRXNPFEDSA-N 2 0 349.906 2.375 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001698932141 1405169530 /nfs/dbraw/zinc/16/95/30/1405169530.db2.gz BAMDHKDBJHAHRH-YLJYHZDGSA-N 2 0 345.531 2.348 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001699943373 1405592799 /nfs/dbraw/zinc/59/27/99/1405592799.db2.gz HNCUFOQBIOMGNY-QZTJIDSGSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC000939813319 777431017 /nfs/dbraw/zinc/43/10/17/777431017.db2.gz ZICOVFHQFOTWAY-FXAWDEMLSA-N 2 0 345.531 2.348 10 30 EEEERP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857715 779445679 /nfs/dbraw/zinc/44/56/79/779445679.db2.gz BNJYRWOJYXTXNW-MSOLQXFVSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001565987914 1125485274 /nfs/dbraw/zinc/48/52/74/1125485274.db2.gz JOQJVYHAZZWOIX-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001437212967 1089291462 /nfs/dbraw/zinc/29/14/62/1089291462.db2.gz IAUAAKBDSWXACN-CABCVRRESA-N 2 0 348.516 2.479 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445558561 1091332475 /nfs/dbraw/zinc/33/24/75/1091332475.db2.gz GHHPNQZKVXGWMC-YJBOKZPZSA-N 2 0 328.460 2.027 10 30 EEEERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445615004 1091409481 /nfs/dbraw/zinc/40/94/81/1091409481.db2.gz VVIKWMKILSYNJZ-LPHOPBHVSA-N 2 0 342.487 2.415 10 30 EEEERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001439256096 1091905632 /nfs/dbraw/zinc/90/56/32/1091905632.db2.gz GARZDSUJCMORJS-QFBILLFUSA-N 2 0 342.487 2.415 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001439622577 1092535829 /nfs/dbraw/zinc/53/58/29/1092535829.db2.gz ROWSOADBGRAGJM-AWEZNQCLSA-N 2 0 346.500 2.233 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001441849675 1095935352 /nfs/dbraw/zinc/93/53/52/1095935352.db2.gz MYJHQASNUFWBCQ-CZUORRHYSA-N 2 0 334.489 2.087 10 30 EEEERP C#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001480382943 1100177694 /nfs/dbraw/zinc/17/76/94/1100177694.db2.gz MEOYSFMNGFEGSF-AZUAARDMSA-N 2 0 341.499 2.011 10 30 EEEERP C=CCOCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001496404903 1100998743 /nfs/dbraw/zinc/99/87/43/1100998743.db2.gz VGELDUHOTJRCJT-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001495496492 1101206587 /nfs/dbraw/zinc/20/65/87/1101206587.db2.gz WULBCUPHJMXJED-QGZVFWFLSA-N 2 0 327.472 2.290 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(C)c(C)c1 ZINC001497403327 1102436285 /nfs/dbraw/zinc/43/62/85/1102436285.db2.gz JCSYVSMBEHSZSO-FQEVSTJZSA-N 2 0 341.499 2.339 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001493900292 1103077864 /nfs/dbraw/zinc/07/78/64/1103077864.db2.gz WEEYRENNCMYWJH-IBGZPJMESA-N 2 0 327.472 2.189 10 30 EEEERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001498059318 1106859883 /nfs/dbraw/zinc/85/98/83/1106859883.db2.gz AFMVDVVAXVTQSJ-WMLDXEAASA-N 2 0 335.879 2.126 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC=C(Cl)Cl)CC1 ZINC001480814291 1107166249 /nfs/dbraw/zinc/16/62/49/1107166249.db2.gz WMUUOQRGDYHHON-CYBMUJFWSA-N 2 0 346.302 2.135 10 30 EEEERP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001493240733 1107753291 /nfs/dbraw/zinc/75/32/91/1107753291.db2.gz UJLVUHGRKNRIQF-YJBOKZPZSA-N 2 0 325.472 2.213 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1CC)C(C)C ZINC001467659898 1110461139 /nfs/dbraw/zinc/46/11/39/1110461139.db2.gz BPGVFWBAXQVRHX-ZWKOTPCHSA-N 2 0 336.524 2.421 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CC2CC2)CC1 ZINC001500054849 1112595098 /nfs/dbraw/zinc/59/50/98/1112595098.db2.gz WHFRDCQKHKHCFH-ICSRJNTNSA-N 2 0 345.531 2.443 10 30 EEEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001500511786 1112904641 /nfs/dbraw/zinc/90/46/41/1112904641.db2.gz KHFMCNLMZJVYDJ-FQEVSTJZSA-N 2 0 333.520 2.493 10 30 EEEERP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)C12CC[NH+](CC1)C2 ZINC001501669045 1113425431 /nfs/dbraw/zinc/42/54/31/1113425431.db2.gz YLRRQLOSBSIBIZ-UHFFFAOYSA-N 2 0 327.472 2.407 10 30 EEEERP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CCN1C(=O)CCC[NH+](C)C ZINC001507291378 1115176745 /nfs/dbraw/zinc/17/67/45/1115176745.db2.gz VLNXLIRWCJFCKL-RDTXWAMCSA-N 2 0 346.450 2.118 10 30 EEEERP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1ccccc1 ZINC001507389862 1115247009 /nfs/dbraw/zinc/24/70/09/1115247009.db2.gz PPORDAJPJZODNA-UXHICEINSA-N 2 0 341.499 2.200 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CC2CC(C)C2)C2CC2)CC1 ZINC001568034876 1124241814 /nfs/dbraw/zinc/24/18/14/1124241814.db2.gz YGVYRPXRZUXGKP-MYKUNDNFSA-N 2 0 345.531 2.252 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568645595 1124658385 /nfs/dbraw/zinc/65/83/85/1124658385.db2.gz IVEYABCEDLZOPA-RDTXWAMCSA-N 2 0 346.450 2.166 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000246564399 464600806 /nfs/dbraw/zinc/60/08/06/464600806.db2.gz YFFYZKGRPRTADA-FUHWJXTLSA-N 2 0 336.524 2.399 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000594440267 468589161 /nfs/dbraw/zinc/58/91/61/468589161.db2.gz BFTHMMOPJGLPLX-RBUKOAKNSA-N 2 0 342.487 2.351 10 30 EEEERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000600722946 468635301 /nfs/dbraw/zinc/63/53/01/468635301.db2.gz KVGPNLYIVSJHPD-GOSISDBHSA-N 2 0 331.460 2.010 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000626937847 469762619 /nfs/dbraw/zinc/76/26/19/469762619.db2.gz WJKNSKNYWPJSNE-IAGOWNOFSA-N 2 0 334.508 2.269 10 30 EEEERP C=CC[C@]1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662744995 472231243 /nfs/dbraw/zinc/23/12/43/472231243.db2.gz CJECCBZAZSCHTD-UYAOXDASSA-N 2 0 327.472 2.418 10 30 EEEERP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001266487015 1176621977 /nfs/dbraw/zinc/62/19/77/1176621977.db2.gz YMNNMXNEAZUNCN-BBWFWOEESA-N 2 0 325.472 2.308 10 30 EEEERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001266813087 1177472260 /nfs/dbraw/zinc/47/22/60/1177472260.db2.gz DFUBZAQAFCAYLS-OAHLLOKOSA-N 2 0 348.516 2.290 10 30 EEEERP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266855996 1177582011 /nfs/dbraw/zinc/58/20/11/1177582011.db2.gz IUMABILXJORZTP-LPHOPBHVSA-N 2 0 337.483 2.193 10 30 EEEERP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001266882182 1177695954 /nfs/dbraw/zinc/69/59/54/1177695954.db2.gz DFMVQEAGNKNQQA-MOPGFXCFSA-N 2 0 340.471 2.123 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+][C@H](C)CCC=C)C2)CC1 ZINC001267070915 1178187467 /nfs/dbraw/zinc/18/74/67/1178187467.db2.gz RASTWFZQSLXBDJ-MSOLQXFVSA-N 2 0 331.504 2.124 10 30 EEEERP C[N@H+](CC#Cc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267102246 1178245206 /nfs/dbraw/zinc/24/52/06/1178245206.db2.gz YXQSVFUMXZZMSK-PMACEKPBSA-N 2 0 339.483 2.055 10 30 EEEERP C#CC[NH2+][C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001267378037 1178922331 /nfs/dbraw/zinc/92/23/31/1178922331.db2.gz VMWHLOBTSWSTPM-HXUWFJFHSA-N 2 0 339.483 2.189 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001267473125 1179105373 /nfs/dbraw/zinc/10/53/73/1179105373.db2.gz AZKGQJCOPNCALY-KRWDZBQOSA-N 2 0 348.516 2.288 10 30 EEEERP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001481845934 1182789902 /nfs/dbraw/zinc/78/99/02/1182789902.db2.gz PGQAKMUUUMFWNY-INIZCTEOSA-N 2 0 346.450 2.024 10 30 EEEERP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001482015834 1183133983 /nfs/dbraw/zinc/13/39/83/1183133983.db2.gz JUSUILBYGFYOTC-KZNAEPCWSA-N 2 0 337.508 2.079 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268686483 1183608874 /nfs/dbraw/zinc/60/88/74/1183608874.db2.gz CZKVYLGUFXXGLA-HDMKZQKVSA-N 2 0 347.890 2.126 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001268764731 1183680292 /nfs/dbraw/zinc/68/02/92/1183680292.db2.gz HSQZGGRXLQDJGG-HOCLYGCPSA-N 2 0 333.501 2.321 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001268958238 1183850487 /nfs/dbraw/zinc/85/04/87/1183850487.db2.gz JCGSABRYQDLCNJ-KDURUIRLSA-N 2 0 341.499 2.349 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2CC(C)(C)C2)C2CC2)CC1 ZINC001269149654 1184003532 /nfs/dbraw/zinc/00/35/32/1184003532.db2.gz SZXPORRFFBBBSD-LJQANCHMSA-N 2 0 345.531 2.252 10 30 EEEERP CC[C@H](C(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCC1)[NH+](C)C ZINC001482235353 1184460955 /nfs/dbraw/zinc/46/09/55/1184460955.db2.gz BSORWKJYYBCXKT-LJQANCHMSA-N 2 0 341.499 2.397 10 30 EEEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001269838663 1184657697 /nfs/dbraw/zinc/65/76/97/1184657697.db2.gz HXZUHBMUSSNXNM-APWZRJJASA-N 2 0 349.519 2.127 10 30 EEEERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC001270041474 1184805316 /nfs/dbraw/zinc/80/53/16/1184805316.db2.gz FOIHMNBTSRVAGE-MXVIHJGJSA-N 2 0 339.483 2.151 10 30 EEEERP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001270346083 1185035209 /nfs/dbraw/zinc/03/52/09/1185035209.db2.gz YMQPGDRGXCEIPT-VIQWUECVSA-N 2 0 345.531 2.301 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001482474073 1186011989 /nfs/dbraw/zinc/01/19/89/1186011989.db2.gz BMVYHZWZBYQYKL-UYAOXDASSA-N 2 0 341.499 2.207 10 30 EEEERP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001482509372 1186426815 /nfs/dbraw/zinc/42/68/15/1186426815.db2.gz VCRHDKUOQSZETL-IBGZPJMESA-N 2 0 333.520 2.445 10 30 EEEERP C=CCOCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001272053552 1187287045 /nfs/dbraw/zinc/28/70/45/1187287045.db2.gz NOYLSOOBCUIZKV-QRVBRYPASA-N 2 0 349.519 2.129 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001482868677 1187789196 /nfs/dbraw/zinc/78/91/96/1187789196.db2.gz WGTNBFKMABTTQH-CQSZACIVSA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)Cc2cccc(C)c2)CC1 ZINC001272178620 1187987211 /nfs/dbraw/zinc/98/72/11/1187987211.db2.gz NCYLWSAMPNOQRX-UHFFFAOYSA-N 2 0 341.499 2.230 10 30 EEEERP CC[C@H](C(=O)NC/C=C\C[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001483024724 1188014615 /nfs/dbraw/zinc/01/46/15/1188014615.db2.gz XRBDKKIPDNRACI-OOFWQKGWSA-N 2 0 347.890 2.294 10 30 EEEERP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001279156795 1193551816 /nfs/dbraw/zinc/55/18/16/1193551816.db2.gz YJWBPWPORJYYRA-HNAYVOBHSA-N 2 0 337.483 2.049 10 30 EEEERP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001483805955 1191051884 /nfs/dbraw/zinc/05/18/84/1191051884.db2.gz HYHWIQIFMVFGCM-YQQQUEKLSA-N 2 0 349.519 2.033 10 30 EEEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)CCc2nccn2C)CC1 ZINC001483816823 1191061162 /nfs/dbraw/zinc/06/11/62/1191061162.db2.gz PEDAFVWAFLVFRL-UHFFFAOYSA-N 2 0 330.476 2.242 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CCCC=C)CC2)CC1 ZINC001483977047 1191138659 /nfs/dbraw/zinc/13/86/59/1191138659.db2.gz SDOXLOCLBWZHSO-UHFFFAOYSA-N 2 0 331.504 2.269 10 30 EEEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001484138932 1191229712 /nfs/dbraw/zinc/22/97/12/1191229712.db2.gz SHLWHFOOJRFDTL-ROUUACIJSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001484820529 1191539691 /nfs/dbraw/zinc/53/96/91/1191539691.db2.gz WSRRJHYUNHTRFW-SFHVURJKSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCCCCCC1CC[NH+](CC#C)CC1 ZINC001484820977 1191540191 /nfs/dbraw/zinc/54/01/91/1191540191.db2.gz IYFPEZOPZXYYGU-FQEVSTJZSA-N 2 0 343.515 2.106 10 30 EEEERP C=CC[NH2+][C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccccc1 ZINC001486189496 1193731408 /nfs/dbraw/zinc/73/14/08/1193731408.db2.gz VYJDSRLUEXCBJU-VQTJNVASSA-N 2 0 341.499 2.221 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H]1C ZINC001410844393 1198494715 /nfs/dbraw/zinc/49/47/15/1198494715.db2.gz JDWSPXYKQICAOI-KDOFPFPSSA-N 2 0 346.450 2.117 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000876709045 1199732861 /nfs/dbraw/zinc/73/28/61/1199732861.db2.gz HSXYSEOYOZLWJJ-STQMWFEESA-N 2 0 327.881 2.471 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000876718188 1199736719 /nfs/dbraw/zinc/73/67/19/1199736719.db2.gz NBIZNEHNEADEGX-QGZVFWFLSA-N 2 0 335.879 2.499 10 30 EEEERP C=CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883191802 1202029147 /nfs/dbraw/zinc/02/91/47/1202029147.db2.gz JYRRRCQMIKSRHP-MJGOQNOKSA-N 2 0 330.472 2.371 10 30 EEEERP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001274950740 1205216904 /nfs/dbraw/zinc/21/69/04/1205216904.db2.gz VFRNHOFGFGQFHJ-IBGZPJMESA-N 2 0 333.520 2.445 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cccc(Cl)c1 ZINC001275574066 1205423290 /nfs/dbraw/zinc/42/32/90/1205423290.db2.gz NEPHEGYVSRCOJS-YJBOKZPZSA-N 2 0 347.890 2.374 10 30 EEEERP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858476 1206162186 /nfs/dbraw/zinc/16/21/86/1206162186.db2.gz SWRRIJXPFGAPFV-FUHWJXTLSA-N 2 0 339.439 2.211 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1 ZINC001691782474 1214694372 /nfs/dbraw/zinc/69/43/72/1214694372.db2.gz OMXXYUXUIMHTDI-IPMKNSEASA-N 2 0 327.472 2.187 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000900415732 1234333618 /nfs/dbraw/zinc/33/36/18/1234333618.db2.gz WBBGYUAIVINTSV-UHFFFAOYSA-N 2 0 339.430 2.363 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000900566071 1234492904 /nfs/dbraw/zinc/49/29/04/1234492904.db2.gz LGRIDXYSFAGJTE-LJQANCHMSA-N 2 0 329.488 2.175 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001491263109 1258862010 /nfs/dbraw/zinc/86/20/10/1258862010.db2.gz DKQVOSRSLQDFPO-APWZRJJASA-N 2 0 337.483 2.193 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2n(n1)CCC[C@H]2[NH3+])C(C)C ZINC001121991226 1310194666 /nfs/dbraw/zinc/19/46/66/1310194666.db2.gz OEAIVSCBSLBKRL-CRAIPNDOSA-N 2 0 345.491 2.105 10 30 EEEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001489202707 1290444902 /nfs/dbraw/zinc/44/49/02/1290444902.db2.gz LKOUEMMFVKAPBF-MOPGFXCFSA-N 2 0 333.520 2.465 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CC2)CC1 ZINC001277260146 1302049822 /nfs/dbraw/zinc/04/98/22/1302049822.db2.gz XGFWIOYKSQKKGL-UHFFFAOYSA-N 2 0 331.504 2.006 10 30 EEEERP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001278194957 1306246230 /nfs/dbraw/zinc/24/62/30/1306246230.db2.gz YGBKFHCEMKXEIX-UHFFFAOYSA-N 2 0 341.499 2.455 10 30 EEEERP C[C@@H]1[C@H]([NH2+]CC#Cc2ccc(F)cc2)CCN1C(=O)CCC[NH+](C)C ZINC001278294032 1309085198 /nfs/dbraw/zinc/08/51/98/1309085198.db2.gz QQGVVBIVJXSQDU-VQIMIIECSA-N 2 0 345.462 2.098 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001278434719 1310254817 /nfs/dbraw/zinc/25/48/17/1310254817.db2.gz UXVVLJPQNBUZIY-LPHOPBHVSA-N 2 0 337.508 2.033 10 30 EEEERP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001263186428 1322441835 /nfs/dbraw/zinc/44/18/35/1322441835.db2.gz BVCMHRDMDVZPTJ-DLBZAZTESA-N 2 0 343.471 2.432 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001263880150 1322545752 /nfs/dbraw/zinc/54/57/52/1322545752.db2.gz DKSJQMCGCWJTCA-WKILWMFISA-N 2 0 331.460 2.243 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001264032031 1322592357 /nfs/dbraw/zinc/59/23/57/1322592357.db2.gz GHJLJXVFJNGRIK-BHIYHBOVSA-N 2 0 333.520 2.347 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)cc1 ZINC001264993441 1322842006 /nfs/dbraw/zinc/84/20/06/1322842006.db2.gz MGBOQZYVKFSEJD-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc(C#N)cc1 ZINC001265142500 1322945170 /nfs/dbraw/zinc/94/51/70/1322945170.db2.gz JYRBYXAYFHQXCY-LJQANCHMSA-N 2 0 342.487 2.228 10 30 EEEERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001265230477 1322998280 /nfs/dbraw/zinc/99/82/80/1322998280.db2.gz GGJDYXRXBKWNSQ-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP CC[C@@H](C(=O)NC1CCC([NH2+]CC#Cc2ccccc2)CC1)[NH+](C)C ZINC001265739151 1323358594 /nfs/dbraw/zinc/35/85/94/1323358594.db2.gz AJCWVPBWXVFWHQ-MHJFOBGBSA-N 2 0 341.499 2.395 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001266040706 1323591675 /nfs/dbraw/zinc/59/16/75/1323591675.db2.gz MZQGQQCRDGLCLH-QGZVFWFLSA-N 2 0 333.520 2.206 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CC=C(C)C)C2)CC1 ZINC001266120095 1323689974 /nfs/dbraw/zinc/68/99/74/1323689974.db2.gz SVNDSNAADDUOBD-LJQANCHMSA-N 2 0 331.504 2.221 10 30 EEEERP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266241901 1323831349 /nfs/dbraw/zinc/83/13/49/1323831349.db2.gz VVDDNSDPVZIRGL-JKSUJKDBSA-N 2 0 327.900 2.442 10 30 EEEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001280446903 1324231146 /nfs/dbraw/zinc/23/11/46/1324231146.db2.gz WXIFAJZBRIMQMW-QGZVFWFLSA-N 2 0 339.443 2.428 10 30 EEEERP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001281840108 1325483991 /nfs/dbraw/zinc/48/39/91/1325483991.db2.gz JUPXAOPGIHDHCF-IBGZPJMESA-N 2 0 333.520 2.302 10 30 EEEERP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001282614667 1325752169 /nfs/dbraw/zinc/75/21/69/1325752169.db2.gz FFJWAFKQXKAEGT-MSOLQXFVSA-N 2 0 331.504 2.435 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001491682091 1330204019 /nfs/dbraw/zinc/20/40/19/1330204019.db2.gz IPRMNSDFWBSKGY-ZIAGYGMSSA-N 2 0 346.313 2.110 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C(F)(F)F ZINC001316726573 1331842504 /nfs/dbraw/zinc/84/25/04/1331842504.db2.gz GQUQJDFMZKSSHB-ZIAGYGMSSA-N 2 0 347.425 2.273 10 30 EEEERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001317124436 1332087848 /nfs/dbraw/zinc/08/78/48/1332087848.db2.gz MGBRESFAYSAZNX-HDICACEKSA-N 2 0 328.460 2.027 10 30 EEEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001317303171 1332170969 /nfs/dbraw/zinc/17/09/69/1332170969.db2.gz QRVLUYCXWDQKQE-CVEARBPZSA-N 2 0 339.443 2.426 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317343195 1332187467 /nfs/dbraw/zinc/18/74/67/1332187467.db2.gz KCZXDEZTTLQDEY-HKUYNNGSSA-N 2 0 327.472 2.141 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001318686296 1332577415 /nfs/dbraw/zinc/57/74/15/1332577415.db2.gz JRHSCRZPNNEYDF-CTNGQTDRSA-N 2 0 339.483 2.007 10 30 EEEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001323657800 1333510309 /nfs/dbraw/zinc/51/03/09/1333510309.db2.gz DQVFUPYWBFPXLZ-IPQPSQTFSA-N 2 0 331.504 2.384 10 30 EEEERP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001324645198 1333730196 /nfs/dbraw/zinc/73/01/96/1333730196.db2.gz BPKZVWFRSDLISX-ZWKOTPCHSA-N 2 0 325.472 2.356 10 30 EEEERP C#CC[N@H+]1CCC[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001324974983 1333800556 /nfs/dbraw/zinc/80/05/56/1333800556.db2.gz DPOMTEPVMIFYFH-HXUWFJFHSA-N 2 0 327.472 2.213 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001325560462 1333911715 /nfs/dbraw/zinc/91/17/15/1333911715.db2.gz BUPJLOZZBKFPPF-PKOBYXMFSA-N 2 0 329.488 2.031 10 30 EEEERP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001330896619 1334923172 /nfs/dbraw/zinc/92/31/72/1334923172.db2.gz XSUPIAQTOPTLFE-APWZRJJASA-N 2 0 342.487 2.417 10 30 EEEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001330916770 1334926441 /nfs/dbraw/zinc/92/64/41/1334926441.db2.gz OHPDSXBNOWROJW-MAUKXSAKSA-N 2 0 325.472 2.097 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)CC1 ZINC001357158634 1338967871 /nfs/dbraw/zinc/96/78/71/1338967871.db2.gz CGBYMGAMFUODNP-BQFCYCMXSA-N 2 0 334.508 2.009 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001666162526 1355472568 /nfs/dbraw/zinc/47/25/68/1355472568.db2.gz OUZMHNLHMJDSAQ-SFHVURJKSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCN1CCC[C@@H](NC(=O)N(CCC)CC[NH+]2CCCCCC2)C1 ZINC001565346207 1342554503 /nfs/dbraw/zinc/55/45/03/1342554503.db2.gz JWHNKRVWUPEENN-LJQANCHMSA-N 2 0 348.535 2.382 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001566939518 1342655472 /nfs/dbraw/zinc/65/54/72/1342655472.db2.gz DQRLEDGOJCHBCZ-INIZCTEOSA-N 2 0 333.501 2.417 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001566967922 1342668353 /nfs/dbraw/zinc/66/83/53/1342668353.db2.gz YUMBSTWVTZORIH-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567021582 1342680741 /nfs/dbraw/zinc/68/07/41/1342680741.db2.gz MDDYUZSDKHWIOX-MJGOQNOKSA-N 2 0 327.472 2.007 10 30 EEEERP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001570553210 1343084002 /nfs/dbraw/zinc/08/40/02/1343084002.db2.gz HXCMBJUISLNQRJ-LJQANCHMSA-N 2 0 333.520 2.302 10 30 EEEERP CCC[N@H+](C)CC(=O)N(C)[C@@H](C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001676267974 1357128453 /nfs/dbraw/zinc/12/84/53/1357128453.db2.gz KJNZJXNNOQNBMS-FQEVSTJZSA-N 2 0 341.499 2.207 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001676488554 1357157089 /nfs/dbraw/zinc/15/70/89/1357157089.db2.gz QKKBEBVGVOOFSW-INIZCTEOSA-N 2 0 349.906 2.468 10 30 EEEERP CC#CC[NH+]1CCC(C2(NC(=O)[C@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001677468201 1357336445 /nfs/dbraw/zinc/33/64/45/1357336445.db2.gz ZHXFDYBBAWVAGZ-SFHVURJKSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H](C)CCC=C)C2)CC1 ZINC001691758115 1357587786 /nfs/dbraw/zinc/58/77/86/1357587786.db2.gz SKGVRTVZPMXUNU-LMMKCTJWSA-N 2 0 331.504 2.171 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC/C=C/CC)CC1 ZINC001656109128 1354202842 /nfs/dbraw/zinc/20/28/42/1354202842.db2.gz FRGXEPQRCZVMLX-OVKVCFKUSA-N 2 0 331.504 2.221 10 30 EEEERP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001661096728 1354590772 /nfs/dbraw/zinc/59/07/72/1354590772.db2.gz BETAAFBMLUEPKU-FQEVSTJZSA-N 2 0 331.504 2.199 10 30 EEEERP CC[N@H+](C)CCC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001666647030 1355558834 /nfs/dbraw/zinc/55/88/34/1355558834.db2.gz VRSZTDMBMMXQPW-MRXNPFEDSA-N 2 0 349.906 2.375 10 30 EEEERP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001667387997 1355729555 /nfs/dbraw/zinc/72/95/55/1355729555.db2.gz XOCXWPMRKOKWTG-MSOLQXFVSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001667420790 1355738068 /nfs/dbraw/zinc/73/80/68/1355738068.db2.gz DFZIQCNERKJVHY-MOPGFXCFSA-N 2 0 331.504 2.197 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001668197888 1355897280 /nfs/dbraw/zinc/89/72/80/1355897280.db2.gz SNPXCLWZVUFDMY-AWEZNQCLSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCOCC1 ZINC001671957832 1356443662 /nfs/dbraw/zinc/44/36/62/1356443662.db2.gz RHIKCXVOHHEATR-IAGOWNOFSA-N 2 0 337.508 2.080 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1CC ZINC001672177146 1356474493 /nfs/dbraw/zinc/47/44/93/1356474493.db2.gz SBOLFHMLLQGZLR-OALUTQOASA-N 2 0 327.472 2.113 10 30 EEEERP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001673376758 1356679945 /nfs/dbraw/zinc/67/99/45/1356679945.db2.gz UWMOZSABUCNKFQ-QZTJIDSGSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001673646600 1356725549 /nfs/dbraw/zinc/72/55/49/1356725549.db2.gz YQDQWWNZDABAET-FQEVSTJZSA-N 2 0 345.531 2.446 10 30 EEEERP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001674429718 1356830761 /nfs/dbraw/zinc/83/07/61/1356830761.db2.gz TXGHFNLFGMGMRI-TZIWHRDSSA-N 2 0 339.483 2.113 10 30 EEEERP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001698945413 1405175801 /nfs/dbraw/zinc/17/58/01/1405175801.db2.gz KMOOWPHUBUMJDT-KXBFYZLASA-N 2 0 338.455 2.496 10 30 EEEERP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001699104284 1405258181 /nfs/dbraw/zinc/25/81/81/1405258181.db2.gz GXUNAEWRAXJDDO-CQSZACIVSA-N 2 0 346.450 2.166 10 30 EEEERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001699551320 1405387544 /nfs/dbraw/zinc/38/75/44/1405387544.db2.gz OLWQTVQQROUMOO-IRXDYDNUSA-N 2 0 342.487 2.369 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000915399627 795976338 /nfs/dbraw/zinc/97/63/38/795976338.db2.gz DMKOUTYCXOSDOH-UHFFFAOYSA-N 2 0 342.487 2.035 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccccc1C#N)CC2 ZINC001449004012 1094001669 /nfs/dbraw/zinc/00/16/69/1094001669.db2.gz DDVMEUCXHSKJQO-AZUAARDMSA-N 2 0 340.471 2.123 10 30 EEEERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001441542656 1095263282 /nfs/dbraw/zinc/26/32/82/1095263282.db2.gz CUYBDSKVAAREAY-RDTXWAMCSA-N 2 0 346.450 2.118 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001442249565 1096551699 /nfs/dbraw/zinc/55/16/99/1096551699.db2.gz FMURNGABKLBDEI-LPHOPBHVSA-N 2 0 342.487 2.415 10 30 EEEERP C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cc(F)ccc1C#N ZINC001442295251 1096610745 /nfs/dbraw/zinc/61/07/45/1096610745.db2.gz PNECWMZGGOHIAS-CQSZACIVSA-N 2 0 346.450 2.024 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC001442402922 1096724763 /nfs/dbraw/zinc/72/47/63/1096724763.db2.gz DEVOEFBTGMOSOI-SFHVURJKSA-N 2 0 346.450 2.118 10 30 EEEERP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001479835569 1099120406 /nfs/dbraw/zinc/12/04/06/1099120406.db2.gz XHIJRTXDRIZMOC-SJLPKXTDSA-N 2 0 337.508 2.033 10 30 EEEERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccccc1C#N ZINC001479847847 1099142011 /nfs/dbraw/zinc/14/20/11/1099142011.db2.gz UMZABOHVAWYPII-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001496535841 1101135657 /nfs/dbraw/zinc/13/56/57/1101135657.db2.gz XAZCYWONJQEARA-ROUUACIJSA-N 2 0 346.450 2.022 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001496902533 1101693716 /nfs/dbraw/zinc/69/37/16/1101693716.db2.gz FHAWSJHEWZIXMK-UXHICEINSA-N 2 0 341.499 2.302 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001447438614 1102656193 /nfs/dbraw/zinc/65/61/93/1102656193.db2.gz KMRIVTCFILDFRJ-KRWDZBQOSA-N 2 0 327.900 2.395 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001497766079 1103064008 /nfs/dbraw/zinc/06/40/08/1103064008.db2.gz UCXIJAPODMWZPF-ARHOITHKSA-N 2 0 339.483 2.173 10 30 EEEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001495058075 1104695007 /nfs/dbraw/zinc/69/50/07/1104695007.db2.gz MQJHIHPSEOCDMP-CJNGLKHVSA-N 2 0 333.879 2.436 10 30 EEEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480730114 1106990784 /nfs/dbraw/zinc/99/07/84/1106990784.db2.gz KWYVOVYGMRMHMK-SFHVURJKSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001498197900 1107066566 /nfs/dbraw/zinc/06/65/66/1107066566.db2.gz ZRUYKASBOJUCED-ROUUACIJSA-N 2 0 341.499 2.496 10 30 EEEERP C#CC[NH2+][C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1ccccc1 ZINC001507389861 1115246886 /nfs/dbraw/zinc/24/68/86/1115246886.db2.gz PPORDAJPJZODNA-PMACEKPBSA-N 2 0 341.499 2.200 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001568410132 1124478932 /nfs/dbraw/zinc/47/89/32/1124478932.db2.gz RLQXNEOBFCZEJA-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)C12CCC[NH+]1CCC2 ZINC001568756811 1124771289 /nfs/dbraw/zinc/77/12/89/1124771289.db2.gz VWCHBOMINNVCHA-UHFFFAOYSA-N 2 0 346.500 2.186 10 30 EEEERP C#CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000121127944 463084731 /nfs/dbraw/zinc/08/47/31/463084731.db2.gz XDHBETBAYUPRAN-QGZVFWFLSA-N 2 0 330.472 2.223 10 30 EEEERP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594915219 468721688 /nfs/dbraw/zinc/72/16/88/468721688.db2.gz QNFRNXJPSNXFME-UHFFFAOYSA-N 2 0 326.488 2.357 10 30 EEEERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000602583716 469372193 /nfs/dbraw/zinc/37/21/93/469372193.db2.gz RVFRMFXVNNFQMM-NEWSRXKRSA-N 2 0 342.487 2.282 10 30 EEEERP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)Cc1ccccc1 ZINC000066242216 681444295 /nfs/dbraw/zinc/44/42/95/681444295.db2.gz GFVQAJWMTCEVBJ-ZWKOTPCHSA-N 2 0 332.492 2.023 10 30 EEEERP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001266374490 1176443460 /nfs/dbraw/zinc/44/34/60/1176443460.db2.gz ZRYQYPSQBSWOLJ-QGZVFWFLSA-N 2 0 331.504 2.102 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001671497185 1176843087 /nfs/dbraw/zinc/84/30/87/1176843087.db2.gz NPYUAKMFTIXERY-IEBWSBKVSA-N 2 0 331.504 2.338 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001772542526 1177421205 /nfs/dbraw/zinc/42/12/05/1177421205.db2.gz CBUOODDSRSQHKA-ZWKOTPCHSA-N 2 0 347.507 2.042 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001267098745 1178237077 /nfs/dbraw/zinc/23/70/77/1178237077.db2.gz VUJBQZBJTKZBAX-GOSISDBHSA-N 2 0 341.499 2.333 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CCC2CCCC2)CC1 ZINC001268015871 1180978761 /nfs/dbraw/zinc/97/87/61/1180978761.db2.gz VCIFGJZCWXFWFQ-QGZVFWFLSA-N 2 0 333.520 2.254 10 30 EEEERP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001268134422 1181788997 /nfs/dbraw/zinc/78/89/97/1181788997.db2.gz JDAORAQXKWQHKT-PKOBYXMFSA-N 2 0 329.488 2.174 10 30 EEEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2cnccc2OC)C1 ZINC001268171475 1181942668 /nfs/dbraw/zinc/94/26/68/1181942668.db2.gz OCZZZZZQWPVNHJ-HZPDHXFCSA-N 2 0 331.460 2.426 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268364707 1182336898 /nfs/dbraw/zinc/33/68/98/1182336898.db2.gz ACJBVJNNSWUZAY-FRQCXROJSA-N 2 0 345.462 2.002 10 30 EEEERP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cc(F)ccc1C#N ZINC001481820253 1182748127 /nfs/dbraw/zinc/74/81/27/1182748127.db2.gz LFSRYODEKHJJPF-QGZVFWFLSA-N 2 0 346.450 2.166 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001482034151 1183181714 /nfs/dbraw/zinc/18/17/14/1183181714.db2.gz VTOFXRHIJRXQGT-LJQANCHMSA-N 2 0 327.472 2.289 10 30 EEEERP CC[C@H](C(=O)NC/C=C/C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001268619886 1183537984 /nfs/dbraw/zinc/53/79/84/1183537984.db2.gz UYWINRFTKPRFFD-DUMMIQTOSA-N 2 0 347.890 2.294 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001268795402 1183712418 /nfs/dbraw/zinc/71/24/18/1183712418.db2.gz JBRLTPNTJNPHBZ-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001269552407 1184378189 /nfs/dbraw/zinc/37/81/89/1184378189.db2.gz CGARBXQATXIUBY-RTBURBONSA-N 2 0 333.520 2.465 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001269870900 1184683091 /nfs/dbraw/zinc/68/30/91/1184683091.db2.gz FRWRLXIAXVSYAR-FQEVSTJZSA-N 2 0 345.531 2.493 10 30 EEEERP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001270346007 1185035054 /nfs/dbraw/zinc/03/50/54/1185035054.db2.gz WGHGAYVBCIWUFH-ZWKOTPCHSA-N 2 0 333.520 2.301 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001271417865 1186204023 /nfs/dbraw/zinc/20/40/23/1186204023.db2.gz TVKLZVVLBAECKR-FXAWDEMLSA-N 2 0 341.499 2.254 10 30 EEEERP C=C(Br)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001482537423 1186588604 /nfs/dbraw/zinc/58/86/04/1186588604.db2.gz CHLQGHOKDPOXIA-ZIAGYGMSSA-N 2 0 346.313 2.110 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001483163057 1188987712 /nfs/dbraw/zinc/98/77/12/1188987712.db2.gz WPTJENHFOQBBCP-OAHLLOKOSA-N 2 0 347.890 2.128 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001483469814 1190492058 /nfs/dbraw/zinc/49/20/58/1190492058.db2.gz ZOIZIGDMEYXFGR-KRWDZBQOSA-N 2 0 348.516 2.432 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001483799020 1191036674 /nfs/dbraw/zinc/03/66/74/1191036674.db2.gz LVSPRDLSFXCKRP-INIZCTEOSA-N 2 0 327.900 2.251 10 30 EEEERP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001483809571 1191054656 /nfs/dbraw/zinc/05/46/56/1191054656.db2.gz PCKZBCJCRSHZEY-IXDOHACOSA-N 2 0 325.472 2.308 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2cc(F)ccc2C#N)C1 ZINC001484065687 1191185523 /nfs/dbraw/zinc/18/55/23/1191185523.db2.gz YIKJKGMXSZWGIY-IBGZPJMESA-N 2 0 346.450 2.120 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001484992634 1191609525 /nfs/dbraw/zinc/60/95/25/1191609525.db2.gz KGLAQWPTUZNYCR-QFBILLFUSA-N 2 0 342.487 2.415 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001485110355 1191657451 /nfs/dbraw/zinc/65/74/51/1191657451.db2.gz GAVHIXJAIWATRK-ZJRDLVKKSA-N 2 0 347.547 2.498 10 30 EEEERP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001486520767 1194042108 /nfs/dbraw/zinc/04/21/08/1194042108.db2.gz IRRSHBQKNNRPGM-QZTJIDSGSA-N 2 0 349.519 2.058 10 30 EEEERP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC001273301264 1197994636 /nfs/dbraw/zinc/99/46/36/1197994636.db2.gz ROBNACBVURLZCE-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810633761 1199635604 /nfs/dbraw/zinc/63/56/04/1199635604.db2.gz LZKJBZFFUVJCFK-CRAIPNDOSA-N 2 0 326.456 2.476 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001274840539 1205181990 /nfs/dbraw/zinc/18/19/90/1205181990.db2.gz ICZNPFXCZWTFFB-ICSRJNTNSA-N 2 0 341.499 2.397 10 30 EEEERP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001280593259 1205213201 /nfs/dbraw/zinc/21/32/01/1205213201.db2.gz AECXPRWGUQIOGS-QZTJIDSGSA-N 2 0 339.524 2.258 10 30 EEEERP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001275189801 1205277915 /nfs/dbraw/zinc/27/79/15/1205277915.db2.gz AHJWNKVZWHGYDL-HXUWFJFHSA-N 2 0 345.531 2.446 10 30 EEEERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001275479938 1205378466 /nfs/dbraw/zinc/37/84/66/1205378466.db2.gz DONLAYPRUSGINX-LSDHHAIUSA-N 2 0 335.879 2.126 10 30 EEEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267888490 1276749677 /nfs/dbraw/zinc/74/96/77/1276749677.db2.gz HAKCLQVQMGADJP-INIZCTEOSA-N 2 0 339.443 2.285 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]Cc2ccc(F)cc2)CC1 ZINC001273764507 1285089294 /nfs/dbraw/zinc/08/92/94/1285089294.db2.gz GNQQOKRMTIALLF-UHFFFAOYSA-N 2 0 345.462 2.109 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001493146149 1290568496 /nfs/dbraw/zinc/56/84/96/1290568496.db2.gz CZEQYPMXSHWVLG-IAGOWNOFSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001490770628 1291710596 /nfs/dbraw/zinc/71/05/96/1291710596.db2.gz DCQDWHGUVUSKQE-IBGZPJMESA-N 2 0 341.499 2.208 10 30 EEEERP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001491111436 1299600534 /nfs/dbraw/zinc/60/05/34/1299600534.db2.gz OQDDKEPRIGTTDH-VQTJNVASSA-N 2 0 341.499 2.207 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001263880569 1322546240 /nfs/dbraw/zinc/54/62/40/1322546240.db2.gz SKGVRTVZPMXUNU-LNLFQRSKSA-N 2 0 331.504 2.171 10 30 EEEERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265824037 1323402807 /nfs/dbraw/zinc/40/28/07/1323402807.db2.gz OTLWTQKKRTXPFU-CVEARBPZSA-N 2 0 347.890 2.128 10 30 EEEERP CC#CC[N@H+](CC)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266083135 1323639911 /nfs/dbraw/zinc/63/99/11/1323639911.db2.gz VAMWVGVFNYIHMH-SFHVURJKSA-N 2 0 325.472 2.050 10 30 EEEERP C=C(Br)C[NH2+]CC[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001280252450 1324129851 /nfs/dbraw/zinc/12/98/51/1324129851.db2.gz SQEPVOHRVANCTH-AWEZNQCLSA-N 2 0 346.313 2.065 10 30 EEEERP C=CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001281957021 1325534743 /nfs/dbraw/zinc/53/47/43/1325534743.db2.gz OLXYRERBOZLIBQ-LJQANCHMSA-N 2 0 329.488 2.270 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3cnc[nH]3)C[C@@]2(C)C1 ZINC001282991990 1325870697 /nfs/dbraw/zinc/87/06/97/1325870697.db2.gz DJFBZVORJIJDNP-LZQZEXGQSA-N 2 0 330.476 2.477 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001283145346 1325933952 /nfs/dbraw/zinc/93/39/52/1325933952.db2.gz DZFAKEIRYXYDRG-YJBOKZPZSA-N 2 0 328.460 2.027 10 30 EEEERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001283630379 1326170772 /nfs/dbraw/zinc/17/07/72/1326170772.db2.gz CTNFIMCKYPTPSZ-LPHOPBHVSA-N 2 0 345.462 2.098 10 30 EEEERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001283630382 1326170970 /nfs/dbraw/zinc/17/09/70/1326170970.db2.gz CTNFIMCKYPTPSZ-VQIMIIECSA-N 2 0 345.462 2.098 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC[C@H](C)F)C(C)(C)C)CC1 ZINC001284653695 1326647711 /nfs/dbraw/zinc/64/77/11/1326647711.db2.gz VBSWSRAJTVSLSU-RDJZCZTQSA-N 2 0 339.499 2.200 10 30 EEEERP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001316641371 1327163567 /nfs/dbraw/zinc/16/35/67/1327163567.db2.gz CWNQLZYEOPJOGJ-IPMKNSEASA-N 2 0 347.478 2.437 10 30 EEEERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001317665053 1332358908 /nfs/dbraw/zinc/35/89/08/1332358908.db2.gz NOIJNEBNAGZCHO-LJQANCHMSA-N 2 0 342.487 2.227 10 30 EEEERP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001317810145 1332416847 /nfs/dbraw/zinc/41/68/47/1332416847.db2.gz YKBZICGTCPZMHV-VQTJNVASSA-N 2 0 341.499 2.207 10 30 EEEERP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317857205 1332433343 /nfs/dbraw/zinc/43/33/43/1332433343.db2.gz PGVZYQXFODFSBK-ICSRJNTNSA-N 2 0 341.499 2.483 10 30 EEEERP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001319271379 1332673889 /nfs/dbraw/zinc/67/38/89/1332673889.db2.gz ZUIVVKLPAMZYFF-LPHOPBHVSA-N 2 0 347.478 2.105 10 30 EEEERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC001319389276 1332693632 /nfs/dbraw/zinc/69/36/32/1332693632.db2.gz KEGKTRVUIHEUSS-UHFFFAOYSA-N 2 0 339.483 2.153 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccccc1CC ZINC001325363117 1333872793 /nfs/dbraw/zinc/87/27/93/1333872793.db2.gz PUXNDWLQSIVHDE-RTBURBONSA-N 2 0 329.488 2.359 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001328797470 1334523274 /nfs/dbraw/zinc/52/32/74/1334523274.db2.gz NTZBUWMEMNSXBB-RTBURBONSA-N 2 0 333.520 2.443 10 30 EEEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@@H]1C ZINC001331920233 1335675869 /nfs/dbraw/zinc/67/58/69/1335675869.db2.gz WMDXZUXFNMKCDC-IEBWSBKVSA-N 2 0 329.488 2.316 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001332138586 1335739547 /nfs/dbraw/zinc/73/95/47/1335739547.db2.gz ATQNUMDOFLKIMI-IPMKNSEASA-N 2 0 345.531 2.491 10 30 EEEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001333023138 1335949591 /nfs/dbraw/zinc/94/95/91/1335949591.db2.gz YFJYKZKHSBVCBR-KGLIPLIRSA-N 2 0 335.414 2.273 10 30 EEEERP C=C(Cl)CN1CC=C(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001333457712 1336051293 /nfs/dbraw/zinc/05/12/93/1336051293.db2.gz LIWHTKGJWATBBT-GJZGRUSLSA-N 2 0 325.884 2.360 10 30 EEEERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001567139340 1342700615 /nfs/dbraw/zinc/70/06/15/1342700615.db2.gz ZLFKMMSIKZZSQC-QGZVFWFLSA-N 2 0 347.890 2.081 10 30 EEEERP C#CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC[NH+](CC#CC)CC1 ZINC001569593637 1342904847 /nfs/dbraw/zinc/90/48/47/1342904847.db2.gz GVZNFNHXJBSSGY-LJQANCHMSA-N 2 0 343.515 2.200 10 30 EEEERP C#CCC[NH+]1CCc2c(CNC(=O)C[N@@H+](C)CCC)cccc2C1 ZINC001570079055 1343009729 /nfs/dbraw/zinc/00/97/29/1343009729.db2.gz JLNLYTGFWYZKHC-UHFFFAOYSA-N 2 0 327.472 2.026 10 30 EEEERP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001656231751 1354217345 /nfs/dbraw/zinc/21/73/45/1354217345.db2.gz PGUKWVCVSWCADU-WDSOQIARSA-N 2 0 327.472 2.187 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2ccc(C)cc2C)CC1 ZINC001664392215 1355153184 /nfs/dbraw/zinc/15/31/84/1355153184.db2.gz ZVKZNXHGYJMYQS-UHFFFAOYSA-N 2 0 341.499 2.197 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]Cc2cccc(F)c2)CC1 ZINC001665887964 1355405574 /nfs/dbraw/zinc/40/55/74/1355405574.db2.gz KPMCEDPTNYUXTA-LJQANCHMSA-N 2 0 345.462 2.155 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CC[C@@H](C)F)CC2)CC1 ZINC001674002568 1356769683 /nfs/dbraw/zinc/76/96/83/1356769683.db2.gz ZVMQMAGCIURSHH-MRXNPFEDSA-N 2 0 337.483 2.050 10 30 EEEERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001674674433 1356872928 /nfs/dbraw/zinc/87/29/28/1356872928.db2.gz RUPDNFUHFDGAJH-HOTGVXAUSA-N 2 0 345.462 2.144 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940747985 779205416 /nfs/dbraw/zinc/20/54/16/779205416.db2.gz TTWARDSZMDRXQY-KRWDZBQOSA-N 2 0 333.520 2.491 10 30 EEEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cn(C)c2cc(C)ccc12 ZINC000187144722 789402028 /nfs/dbraw/zinc/40/20/28/789402028.db2.gz CIKSDQAXINZMDC-KRWDZBQOSA-N 2 0 341.503 2.418 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CCc2ccccc2)CC1 ZINC001566520316 1125692270 /nfs/dbraw/zinc/69/22/70/1125692270.db2.gz XATOXTLCVAMTNM-UHFFFAOYSA-N 2 0 341.499 2.012 10 30 EEEERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001436933723 1088606387 /nfs/dbraw/zinc/60/63/87/1088606387.db2.gz YEHLJMJUVLMLHO-YQQQUEKLSA-N 2 0 340.471 2.122 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001439619495 1092526790 /nfs/dbraw/zinc/52/67/90/1092526790.db2.gz FFVCALGYDKHNTQ-SFHVURJKSA-N 2 0 340.471 2.171 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC001440620159 1093888445 /nfs/dbraw/zinc/88/84/45/1093888445.db2.gz KYKYTIPJOUGVGV-GOSISDBHSA-N 2 0 342.487 2.227 10 30 EEEERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001440796690 1094039375 /nfs/dbraw/zinc/03/93/75/1094039375.db2.gz KZCPZVOOYMYEPA-QWHCGFSZSA-N 2 0 334.489 2.087 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001441862115 1095967603 /nfs/dbraw/zinc/96/76/03/1095967603.db2.gz FJHDGRIXINTBFC-OWCLPIDISA-N 2 0 339.911 2.297 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2ccccc2C#N)CC[N@@H+]1C ZINC001442263242 1096567433 /nfs/dbraw/zinc/56/74/33/1096567433.db2.gz YJNPDDUHHIICMK-AYOQOUSVSA-N 2 0 342.487 2.273 10 30 EEEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001479694058 1098760542 /nfs/dbraw/zinc/76/05/42/1098760542.db2.gz KPEBRTALCWKSTA-FQEVSTJZSA-N 2 0 345.531 2.493 10 30 EEEERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444328724 1098894271 /nfs/dbraw/zinc/89/42/71/1098894271.db2.gz PIYKCQIJKQIJPM-LPHOPBHVSA-N 2 0 342.487 2.275 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001480086748 1099643740 /nfs/dbraw/zinc/64/37/40/1099643740.db2.gz XCLNATMAPWJLHY-GOSISDBHSA-N 2 0 333.520 2.301 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](C)C1 ZINC001444797766 1099712572 /nfs/dbraw/zinc/71/25/72/1099712572.db2.gz WQXPRVXQZBLNMU-QFBILLFUSA-N 2 0 342.487 2.225 10 30 EEEERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001444829361 1099776428 /nfs/dbraw/zinc/77/64/28/1099776428.db2.gz QZQNWMFUYPENGV-RHSMWYFYSA-N 2 0 348.516 2.288 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)CC(C)C)C2)CC1 ZINC001480238786 1099871432 /nfs/dbraw/zinc/87/14/32/1099871432.db2.gz XFQFQFKPDBKTKS-QRQLOZEOSA-N 2 0 333.520 2.251 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)Cc2ccccc2C#N)CC[N@@H+]1C ZINC001444984738 1100112051 /nfs/dbraw/zinc/11/20/51/1100112051.db2.gz BPQBPQAWWMTPAY-RBUKOAKNSA-N 2 0 342.487 2.179 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCCCC)CC1 ZINC001496920829 1101722224 /nfs/dbraw/zinc/72/22/24/1101722224.db2.gz ZZYALBGGBATTFC-RTBURBONSA-N 2 0 333.520 2.396 10 30 EEEERP CN(CCC[NH2+]Cc1ccccc1C#N)C(=O)CC1CC[NH+](C)CC1 ZINC001498620713 1107825231 /nfs/dbraw/zinc/82/52/31/1107825231.db2.gz HKDFKGUUSBVNIF-UHFFFAOYSA-N 2 0 342.487 2.228 10 30 EEEERP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001479391802 1110690098 /nfs/dbraw/zinc/69/00/98/1110690098.db2.gz NHRLQORHDPKZRP-PPUGGXLSSA-N 2 0 346.450 2.024 10 30 EEEERP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001501058362 1113184094 /nfs/dbraw/zinc/18/40/94/1113184094.db2.gz NINYJYXWILXBEV-HOTGVXAUSA-N 2 0 339.443 2.284 10 30 EEEERP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001501193602 1113236411 /nfs/dbraw/zinc/23/64/11/1113236411.db2.gz JQSQXZGEYWXWGM-VQTJNVASSA-N 2 0 341.499 2.358 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001507364939 1115224807 /nfs/dbraw/zinc/22/48/07/1115224807.db2.gz QMAFJLYNOYIKAW-XUVXKRRUSA-N 2 0 345.531 2.493 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001507456155 1115280250 /nfs/dbraw/zinc/28/02/50/1115280250.db2.gz GXMAODMZEPXLLG-UONOGXRCSA-N 2 0 335.414 2.131 10 30 EEEERP C[C@@](C[NH2+]CC#Cc1ccccc1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001568032841 1124240920 /nfs/dbraw/zinc/24/09/20/1124240920.db2.gz ZVGICGIOJNXIQG-NRFANRHFSA-N 2 0 339.483 2.008 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568068282 1124273363 /nfs/dbraw/zinc/27/33/63/1124273363.db2.gz TYDJDXCVKQVSBG-AWEZNQCLSA-N 2 0 346.313 2.065 10 30 EEEERP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001568224669 1124368270 /nfs/dbraw/zinc/36/82/70/1124368270.db2.gz ICKZPMCLPMCPDQ-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001568536755 1124598732 /nfs/dbraw/zinc/59/87/32/1124598732.db2.gz LVZFTBAYZKNJAR-PKOBYXMFSA-N 2 0 345.462 2.003 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568643140 1124655073 /nfs/dbraw/zinc/65/50/73/1124655073.db2.gz XLYCPOQDKMJCEW-LPHOPBHVSA-N 2 0 342.487 2.417 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568741889 1124754835 /nfs/dbraw/zinc/75/48/35/1124754835.db2.gz IEROAXXMGFSPKW-LJQANCHMSA-N 2 0 342.487 2.369 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001568793598 1124805647 /nfs/dbraw/zinc/80/56/47/1124805647.db2.gz QWIYQCDVYURMOJ-GOSISDBHSA-N 2 0 330.476 2.083 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001569022645 1125048047 /nfs/dbraw/zinc/04/80/47/1125048047.db2.gz SWFWKHKFFKDQIQ-MRXNPFEDSA-N 2 0 345.462 2.003 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(CC)cc2)CC1 ZINC001569099042 1125097128 /nfs/dbraw/zinc/09/71/28/1125097128.db2.gz OLVDGKKVAALCST-KRWDZBQOSA-N 2 0 341.499 2.189 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCCC2CCC2)CC1 ZINC001569152517 1125131550 /nfs/dbraw/zinc/13/15/50/1125131550.db2.gz CLKXUIGKLGEJOH-KRWDZBQOSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(Br)C[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001569246512 1125187831 /nfs/dbraw/zinc/18/78/31/1125187831.db2.gz FLOAPYCYUKTPPO-UHFFFAOYSA-N 2 0 346.313 2.065 10 30 EEEERP C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1F ZINC000358564921 465195454 /nfs/dbraw/zinc/19/54/54/465195454.db2.gz YHRURONZUWASIA-KBXCAEBGSA-N 2 0 346.450 2.291 10 30 EEEERP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516319 464064027 /nfs/dbraw/zinc/06/40/27/464064027.db2.gz CRUNDBZGZJNNSF-NVXWUHKLSA-N 2 0 343.475 2.132 10 30 EEEERP C=CC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CCC[NH2+]1 ZINC000662682157 472204167 /nfs/dbraw/zinc/20/41/67/472204167.db2.gz HBGDSKHNFCISCG-FQEVSTJZSA-N 2 0 343.471 2.280 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000106341126 526585375 /nfs/dbraw/zinc/58/53/75/526585375.db2.gz LPLAMJIXRKDTPP-UHFFFAOYSA-N 2 0 334.508 2.297 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000899961974 693939049 /nfs/dbraw/zinc/93/90/49/693939049.db2.gz FFFIWYYBVKVWRR-UHFFFAOYSA-N 2 0 330.476 2.193 10 30 EEEERP CC#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001485568935 1191838413 /nfs/dbraw/zinc/83/84/13/1191838413.db2.gz BZHRHABHRVOPRL-KRWDZBQOSA-N 2 0 333.520 2.489 10 30 EEEERP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CCO1 ZINC001485638998 1191865844 /nfs/dbraw/zinc/86/58/44/1191865844.db2.gz ANZRRWLRLPDRON-DOTOQJQBSA-N 2 0 337.508 2.031 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCCCCF)CC1 ZINC001691112513 1177602229 /nfs/dbraw/zinc/60/22/29/1177602229.db2.gz HJAJIXXDNTVNFY-SFHVURJKSA-N 2 0 337.483 2.052 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001266939297 1177853269 /nfs/dbraw/zinc/85/32/69/1177853269.db2.gz FBMJXBLIUBKXPD-IEBWSBKVSA-N 2 0 327.472 2.005 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001266994347 1178052534 /nfs/dbraw/zinc/05/25/34/1178052534.db2.gz LPJIBXPOHPOVHB-ROUUACIJSA-N 2 0 341.499 2.496 10 30 EEEERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001267058571 1178166974 /nfs/dbraw/zinc/16/69/74/1178166974.db2.gz SQAABGLQVIDLPJ-MRXNPFEDSA-N 2 0 347.890 2.081 10 30 EEEERP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267791713 1180540734 /nfs/dbraw/zinc/54/07/34/1180540734.db2.gz WNLLXFHNDSZHLV-QFBILLFUSA-N 2 0 337.483 2.145 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481490801 1181551261 /nfs/dbraw/zinc/55/12/61/1181551261.db2.gz JQFAGKHSOMQACM-QGZVFWFLSA-N 2 0 333.520 2.443 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001481493345 1181559382 /nfs/dbraw/zinc/55/93/82/1181559382.db2.gz WZDLAIJIZXVRQG-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H](C)[NH2+]CCC=C)C2)CC1 ZINC001268178316 1181960802 /nfs/dbraw/zinc/96/08/02/1181960802.db2.gz DUOXLZYQPDRGQI-PKOBYXMFSA-N 2 0 331.504 2.124 10 30 EEEERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC#Cc1ccccc1 ZINC001481818896 1182746190 /nfs/dbraw/zinc/74/61/90/1182746190.db2.gz OGGRNLOQPFQWIJ-GOSISDBHSA-N 2 0 327.472 2.007 10 30 EEEERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC#Cc1ccccc1Cl ZINC001482085311 1183314117 /nfs/dbraw/zinc/31/41/17/1183314117.db2.gz OFNRHLNKYMAIMM-YJBOKZPZSA-N 2 0 347.890 2.128 10 30 EEEERP CC#CC[NH+]1CCC(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001270158791 1184888674 /nfs/dbraw/zinc/88/86/74/1184888674.db2.gz ZVXCSXQWKFUNTQ-UHFFFAOYSA-N 2 0 333.520 2.494 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCC(=C)C)CC1 ZINC001270886209 1185658332 /nfs/dbraw/zinc/65/83/32/1185658332.db2.gz SZYNOWXSUREDAD-SFHVURJKSA-N 2 0 331.504 2.269 10 30 EEEERP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001271645052 1186356028 /nfs/dbraw/zinc/35/60/28/1186356028.db2.gz LQDWZYACWBGSHY-SJORKVTESA-N 2 0 333.520 2.489 10 30 EEEERP CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)C)[NH+](C)C ZINC001482564394 1186845587 /nfs/dbraw/zinc/84/55/87/1186845587.db2.gz BZHSERKJGLRRFV-ZWKOTPCHSA-N 2 0 348.466 2.268 10 30 EEEERP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]CC#Cc2ccccc2)CC[N@@H+]1C ZINC001483050393 1188293380 /nfs/dbraw/zinc/29/33/80/1188293380.db2.gz HHJNOTVLRFTZGM-GGVAOPBYSA-N 2 0 339.483 2.030 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483241456 1190271613 /nfs/dbraw/zinc/27/16/13/1190271613.db2.gz YUAQLQXVNGUUTH-MAUKXSAKSA-N 2 0 347.890 2.270 10 30 EEEERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1CC#Cc1ccc(Cl)cc1 ZINC001483688347 1190754841 /nfs/dbraw/zinc/75/48/41/1190754841.db2.gz GRNQIAXTHMRTEB-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001272676297 1191019185 /nfs/dbraw/zinc/01/91/85/1191019185.db2.gz ZQXFLQCXJPHTHP-LJQANCHMSA-N 2 0 329.488 2.344 10 30 EEEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001483939070 1191124478 /nfs/dbraw/zinc/12/44/78/1191124478.db2.gz YNBDPWVQHOXOHW-QGZVFWFLSA-N 2 0 339.443 2.428 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C1CC[NH+](CC)CC1 ZINC001483988398 1191143948 /nfs/dbraw/zinc/14/39/48/1191143948.db2.gz AAWMKXNUMORCPJ-UHFFFAOYSA-N 2 0 331.504 2.055 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001486211064 1193751420 /nfs/dbraw/zinc/75/14/20/1193751420.db2.gz SJVGEUPWMSHJOH-KSSFIOAISA-N 2 0 346.450 2.024 10 30 EEEERP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001486453406 1193974972 /nfs/dbraw/zinc/97/49/72/1193974972.db2.gz ZKUHWHAMVKBJLF-GJZGRUSLSA-N 2 0 347.425 2.111 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000876751192 1199755607 /nfs/dbraw/zinc/75/56/07/1199755607.db2.gz ZKPPEBIQHREKSS-KBPBESRZSA-N 2 0 325.840 2.311 10 30 EEEERP C#CCCOc1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000877669486 1200019164 /nfs/dbraw/zinc/01/91/64/1200019164.db2.gz LHLNFBPQUWZVNV-WOJBJXKFSA-N 2 0 343.515 2.260 10 30 EEEERP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000867979280 1201718947 /nfs/dbraw/zinc/71/89/47/1201718947.db2.gz CIUGUDWIAUNNDJ-PMACEKPBSA-N 2 0 348.450 2.341 10 30 EEEERP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001274786745 1205164798 /nfs/dbraw/zinc/16/47/98/1205164798.db2.gz WXZQDORHJQRMDW-QFBILLFUSA-N 2 0 347.478 2.248 10 30 EEEERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001275479936 1205378499 /nfs/dbraw/zinc/37/84/99/1205378499.db2.gz DONLAYPRUSGINX-GJZGRUSLSA-N 2 0 335.879 2.126 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cccc(Cl)c1 ZINC001275574065 1205423463 /nfs/dbraw/zinc/42/34/63/1205423463.db2.gz NEPHEGYVSRCOJS-QAPCUYQASA-N 2 0 347.890 2.374 10 30 EEEERP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000925774485 1206153105 /nfs/dbraw/zinc/15/31/05/1206153105.db2.gz APOQXAUAKHJGEM-HNNXBMFYSA-N 2 0 334.414 2.361 10 30 EEEERP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858478 1206161957 /nfs/dbraw/zinc/16/19/57/1206161957.db2.gz SWRRIJXPFGAPFV-WMZOPIPTSA-N 2 0 339.439 2.211 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001491080494 1258646066 /nfs/dbraw/zinc/64/60/66/1258646066.db2.gz OMHSIHCZCZLWOL-HSALFYBXSA-N 2 0 339.483 2.149 10 30 EEEERP CC[C@H](C(=O)NC1CCC([NH2+]Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC001491356676 1258990984 /nfs/dbraw/zinc/99/09/84/1258990984.db2.gz QTXZNHHFTTYUJY-MQBCKMQZSA-N 2 0 348.516 2.477 10 30 EEEERP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001273446544 1278418595 /nfs/dbraw/zinc/41/85/95/1278418595.db2.gz RYYBGERWAGTUCC-HXUWFJFHSA-N 2 0 341.499 2.155 10 30 EEEERP COCC#CC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604039 1293580115 /nfs/dbraw/zinc/58/01/15/1293580115.db2.gz RXGSQYQQBGXLMI-LJQANCHMSA-N 2 0 331.460 2.025 10 30 EEEERP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001276862572 1299973484 /nfs/dbraw/zinc/97/34/84/1299973484.db2.gz NWAMJRVZVNWVJZ-INIZCTEOSA-N 2 0 325.472 2.167 10 30 EEEERP C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)CC2 ZINC001276921841 1300273444 /nfs/dbraw/zinc/27/34/44/1300273444.db2.gz PFBIDKMYLKZBOQ-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001278163089 1306145351 /nfs/dbraw/zinc/14/53/51/1306145351.db2.gz AXOLDOCWNGBOIV-IEBWSBKVSA-N 2 0 331.504 2.338 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CC=C(C)C)C2)CC1 ZINC001279044625 1319075117 /nfs/dbraw/zinc/07/51/17/1319075117.db2.gz HNXLNGURDUNXGZ-IEBWSBKVSA-N 2 0 331.504 2.124 10 30 EEEERP C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001265798764 1323387222 /nfs/dbraw/zinc/38/72/22/1323387222.db2.gz KINUPNWXMSZOIH-CABCVRRESA-N 2 0 327.432 2.330 10 30 EEEERP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2)CCC1 ZINC001280499525 1324259000 /nfs/dbraw/zinc/25/90/00/1324259000.db2.gz HIYPHBBHTUXLFC-IBGZPJMESA-N 2 0 339.483 2.151 10 30 EEEERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282191167 1325646873 /nfs/dbraw/zinc/64/68/73/1325646873.db2.gz GNUFXLIHRKYLLQ-ZWKOTPCHSA-N 2 0 343.515 2.499 10 30 EEEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001491966021 1330361688 /nfs/dbraw/zinc/36/16/88/1330361688.db2.gz WZZJEMWBUCWOOI-RTBURBONSA-N 2 0 333.520 2.443 10 30 EEEERP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001492159979 1331024320 /nfs/dbraw/zinc/02/43/20/1331024320.db2.gz MXOPYACBBQRCDE-INIZCTEOSA-N 2 0 339.443 2.428 10 30 EEEERP CC[N@@H+](CC#Cc1ccccc1)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001316901061 1331966892 /nfs/dbraw/zinc/96/68/92/1331966892.db2.gz XGYOGMQIVQGVHZ-HXUWFJFHSA-N 2 0 343.515 2.453 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317139555 1332096004 /nfs/dbraw/zinc/09/60/04/1332096004.db2.gz JXVOSNZSPUCFSD-LPHOPBHVSA-N 2 0 337.483 2.050 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001317189240 1332122681 /nfs/dbraw/zinc/12/26/81/1332122681.db2.gz UAADDKOPLYLHIG-KRWDZBQOSA-N 2 0 339.443 2.428 10 30 EEEERP CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001317810144 1332416372 /nfs/dbraw/zinc/41/63/72/1332416372.db2.gz YKBZICGTCPZMHV-UXHICEINSA-N 2 0 341.499 2.207 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001320149310 1332838050 /nfs/dbraw/zinc/83/80/50/1332838050.db2.gz FMJMZELJSKQVQY-UYAOXDASSA-N 2 0 341.499 2.302 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320464928 1332890593 /nfs/dbraw/zinc/89/05/93/1332890593.db2.gz VVOZUUFNBVGJQE-KSSFIOAISA-N 2 0 346.450 2.166 10 30 EEEERP CCC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001321712670 1333147500 /nfs/dbraw/zinc/14/75/00/1333147500.db2.gz IXPCXWAMQHJMQV-MRXNPFEDSA-N 2 0 333.451 2.003 10 30 EEEERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001324812960 1333765456 /nfs/dbraw/zinc/76/54/56/1333765456.db2.gz KCQPRRLPEKWSND-TZIWHRDSSA-N 2 0 341.499 2.207 10 30 EEEERP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001325363432 1333872531 /nfs/dbraw/zinc/87/25/31/1333872531.db2.gz SDKACHGHUMEZIL-FQEVSTJZSA-N 2 0 345.531 2.446 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC(CC)CC)C[C@H]2C)CC1 ZINC001332063884 1335717240 /nfs/dbraw/zinc/71/72/40/1335717240.db2.gz KECGSLCOSANQFH-VQIMIIECSA-N 2 0 333.520 2.347 10 30 EEEERP C=CCCC[C@@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001338583211 1336879694 /nfs/dbraw/zinc/87/96/94/1336879694.db2.gz RYBXIFHATFGHBR-NXHRZFHOSA-N 2 0 334.508 2.341 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)C[NH+]1CCC(C)CC1 ZINC001668597313 1355970065 /nfs/dbraw/zinc/97/00/65/1355970065.db2.gz ZOTUEFPSELAYBM-UHFFFAOYSA-N 2 0 348.516 2.290 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001506678562 1342311406 /nfs/dbraw/zinc/31/14/06/1342311406.db2.gz JPTOGBQZJCYFEW-ZWKOTPCHSA-N 2 0 347.547 2.450 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]CC2CCCC2)CC1 ZINC001676024930 1357091533 /nfs/dbraw/zinc/09/15/33/1357091533.db2.gz ZZXWIXNZZAFOQN-QGZVFWFLSA-N 2 0 333.520 2.396 10 30 EEEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001569442723 1342870942 /nfs/dbraw/zinc/87/09/42/1342870942.db2.gz GLBJEPCYJZOPIH-XVLXNVKGSA-N 2 0 331.504 2.386 10 30 EEEERP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001571021767 1343153670 /nfs/dbraw/zinc/15/36/70/1343153670.db2.gz JQCLXUDBEJAOOS-GBESFXJTSA-N 2 0 331.504 2.102 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001571307479 1343177262 /nfs/dbraw/zinc/17/72/62/1343177262.db2.gz DBCUOWWCRBXSBL-GJZGRUSLSA-N 2 0 348.516 2.336 10 30 EEEERP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)CCCC[NH+](C)C ZINC001676766901 1357196666 /nfs/dbraw/zinc/19/66/66/1357196666.db2.gz KJTNVVCJFDPGEJ-LPHOPBHVSA-N 2 0 342.487 2.369 10 30 EEEERP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001677468200 1357336593 /nfs/dbraw/zinc/33/65/93/1357336593.db2.gz ZHXFDYBBAWVAGZ-GOSISDBHSA-N 2 0 333.520 2.491 10 30 EEEERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001656140412 1354207436 /nfs/dbraw/zinc/20/74/36/1354207436.db2.gz SVEQIYZVYBIJSX-HSALFYBXSA-N 2 0 339.483 2.007 10 30 EEEERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001662712022 1354829764 /nfs/dbraw/zinc/82/97/64/1354829764.db2.gz OZCGLESFKLUJRA-OAHLLOKOSA-N 2 0 348.516 2.290 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001663461118 1354964736 /nfs/dbraw/zinc/96/47/36/1354964736.db2.gz HRZAOOKRDRCUML-YZGWKJHDSA-N 2 0 345.531 2.206 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CCC3CC3)CCCC2)CC1 ZINC001665968500 1355417297 /nfs/dbraw/zinc/41/72/97/1355417297.db2.gz HQJFCMVLUAHOQI-UHFFFAOYSA-N 2 0 331.504 2.150 10 30 EEEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001666291019 1355503895 /nfs/dbraw/zinc/50/38/95/1355503895.db2.gz MASQTNXDDREYLM-LNLFQRSKSA-N 2 0 331.504 2.434 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]Cc2ccccc2F)CC1 ZINC001668319847 1355922597 /nfs/dbraw/zinc/92/25/97/1355922597.db2.gz LRWVSWPYZWEVBO-MRXNPFEDSA-N 2 0 345.462 2.155 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001672368807 1356510532 /nfs/dbraw/zinc/51/05/32/1356510532.db2.gz IWFCTYCKGVTJTG-FHWLQOOXSA-N 2 0 333.520 2.396 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001672543403 1356551918 /nfs/dbraw/zinc/55/19/18/1356551918.db2.gz IPGXBRQAHSGQJY-RBUKOAKNSA-N 2 0 349.519 2.130 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001672830835 1356595069 /nfs/dbraw/zinc/59/50/69/1356595069.db2.gz NESJDGPKRPBIMZ-GOSISDBHSA-N 2 0 333.520 2.350 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941157414 779998679 /nfs/dbraw/zinc/99/86/79/779998679.db2.gz BZFWIJZOZWVPEZ-LJQANCHMSA-N 2 0 345.531 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC)CC2(C)C)CC1 ZINC000941239627 780230399 /nfs/dbraw/zinc/23/03/99/780230399.db2.gz QUUYTNRCQSTIBI-GOSISDBHSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1OC ZINC000910424114 786753548 /nfs/dbraw/zinc/75/35/48/786753548.db2.gz JFEIBMNMCFJPFK-UHFFFAOYSA-N 2 0 335.448 2.082 10 30 EEEERP COCC[N@@H+]1CCC[C@@H]1CNC(NC(C)(C)C)=[NH+]CCCSC ZINC000912508182 788215018 /nfs/dbraw/zinc/21/50/18/788215018.db2.gz IXMYJWXHIWXWKD-OAHLLOKOSA-N 2 0 344.569 2.184 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@H](C(CC)CC)[NH+]2CCCC2)CC1 ZINC000913999242 794717169 /nfs/dbraw/zinc/71/71/69/794717169.db2.gz WDYCEVOMTJQLHJ-LJQANCHMSA-N 2 0 348.535 2.284 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000914099312 794871755 /nfs/dbraw/zinc/87/17/55/794871755.db2.gz YYABTRZNAFNDOI-KRWDZBQOSA-N 2 0 334.508 2.038 10 30 EEEERP C#CC[NH2+]CCCCCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001566004313 1125496042 /nfs/dbraw/zinc/49/60/42/1125496042.db2.gz FMRPKGZQKXFCKA-UHFFFAOYSA-N 2 0 326.444 2.498 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCC)[C@@H]2C)CC1 ZINC001566116103 1125565602 /nfs/dbraw/zinc/56/56/02/1125565602.db2.gz XQPBZEWJTIULPR-MJGOQNOKSA-N 2 0 333.520 2.491 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001436846769 1088486320 /nfs/dbraw/zinc/48/63/20/1088486320.db2.gz VSSFUTRQLDLHJX-HNNXBMFYSA-N 2 0 348.516 2.242 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001438753870 1091314591 /nfs/dbraw/zinc/31/45/91/1091314591.db2.gz NNWVOMQUHWXGBK-CVEARBPZSA-N 2 0 327.900 2.488 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001479494689 1098564065 /nfs/dbraw/zinc/56/40/65/1098564065.db2.gz KTHRJMZSCQREEB-RBUKOAKNSA-N 2 0 342.487 2.273 10 30 EEEERP C#CCC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001479615922 1098640409 /nfs/dbraw/zinc/64/04/09/1098640409.db2.gz YXGHFUPOYFWZSK-NEWSRXKRSA-N 2 0 331.504 2.099 10 30 EEEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001479982256 1099437418 /nfs/dbraw/zinc/43/74/18/1099437418.db2.gz VMVNAKDXEHBRHM-ZWKOTPCHSA-N 2 0 331.504 2.265 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001495389103 1101108662 /nfs/dbraw/zinc/10/86/62/1101108662.db2.gz BVBXYWDWJZNXLZ-OALUTQOASA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001495539312 1101255065 /nfs/dbraw/zinc/25/50/65/1101255065.db2.gz CKPHUPXZXFEZAT-UHFFFAOYSA-N 2 0 345.531 2.350 10 30 EEEERP C=CC[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001493896892 1103071014 /nfs/dbraw/zinc/07/10/14/1103071014.db2.gz XJUNQKNEUOUFMA-GOSISDBHSA-N 2 0 327.472 2.496 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497831833 1103164193 /nfs/dbraw/zinc/16/41/93/1103164193.db2.gz VXFBWDZCPQRUOR-IEBWSBKVSA-N 2 0 327.472 2.007 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001494018343 1103356653 /nfs/dbraw/zinc/35/66/53/1103356653.db2.gz LPCHAFVEKHRGAP-JKSUJKDBSA-N 2 0 327.900 2.442 10 30 EEEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001494161442 1103624335 /nfs/dbraw/zinc/62/43/35/1103624335.db2.gz UXJHLGVYPXGOFD-GOSISDBHSA-N 2 0 329.488 2.371 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001494792131 1104373919 /nfs/dbraw/zinc/37/39/19/1104373919.db2.gz IIVQGDOTCDGSKS-PKOBYXMFSA-N 2 0 333.520 2.204 10 30 EEEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480730110 1106991380 /nfs/dbraw/zinc/99/13/80/1106991380.db2.gz KWYVOVYGMRMHMK-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001480735586 1107007309 /nfs/dbraw/zinc/00/73/09/1107007309.db2.gz VWANUSSCJAKENO-KRWDZBQOSA-N 2 0 346.450 2.072 10 30 EEEERP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001500049051 1112592910 /nfs/dbraw/zinc/59/29/10/1112592910.db2.gz ZZBYLHQYDRTWPK-UHFFFAOYSA-N 2 0 347.425 2.207 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CCCF)CC1 ZINC001500052131 1112594519 /nfs/dbraw/zinc/59/45/19/1112594519.db2.gz SJRDTGORCSINMT-PKOBYXMFSA-N 2 0 349.494 2.289 10 30 EEEERP C#CCC[NH+]1CCC(C)(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001500462942 1112851620 /nfs/dbraw/zinc/85/16/20/1112851620.db2.gz QPQSLMQYPQFNMR-UHFFFAOYSA-N 2 0 333.520 2.494 10 30 EEEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001503001735 1113869583 /nfs/dbraw/zinc/86/95/83/1113869583.db2.gz IZWHDYQUGXYKRG-IRXDYDNUSA-N 2 0 337.508 2.033 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001507364936 1115224647 /nfs/dbraw/zinc/22/46/47/1115224647.db2.gz QMAFJLYNOYIKAW-HSALFYBXSA-N 2 0 345.531 2.493 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001507417275 1115258513 /nfs/dbraw/zinc/25/85/13/1115258513.db2.gz WNQCNQSCWXAACP-MJGOQNOKSA-N 2 0 327.472 2.260 10 30 EEEERP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001565885036 1125448883 /nfs/dbraw/zinc/44/88/83/1125448883.db2.gz KLLGLLKPLHFKKB-ZCNNSNEGSA-N 2 0 341.499 2.180 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC(C)C)C2)CC1 ZINC001565920554 1125456744 /nfs/dbraw/zinc/45/67/44/1125456744.db2.gz WQHWLVYARQVGJE-PKOBYXMFSA-N 2 0 333.520 2.252 10 30 EEEERP COc1ccc(C#N)cc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000159936790 533267804 /nfs/dbraw/zinc/26/78/04/533267804.db2.gz DNRXGMLYOYUUHO-OAHLLOKOSA-N 2 0 331.460 2.091 10 30 EEEERP CCn1cc([C@@H](C)[NH2+]CC#CC[NH2+][C@H](C)c2cnn(CC)c2)cn1 ZINC000295988612 465044163 /nfs/dbraw/zinc/04/41/63/465044163.db2.gz JSSYWGUTBSTIIS-HZPDHXFCSA-N 2 0 328.464 2.124 10 30 EEEERP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C2)CC1 ZINC000594436302 468585415 /nfs/dbraw/zinc/58/54/15/468585415.db2.gz CXDZOKKWAMFEPI-MSOLQXFVSA-N 2 0 334.508 2.368 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000594444903 468591151 /nfs/dbraw/zinc/59/11/51/468591151.db2.gz ZVUSAJCSUHMFRG-JKSUJKDBSA-N 2 0 334.851 2.224 10 30 EEEERP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000594925222 468724344 /nfs/dbraw/zinc/72/43/44/468724344.db2.gz QMUKRCGOFWXIGL-IBGZPJMESA-N 2 0 338.499 2.500 10 30 EEEERP N#CC1(c2ccccc2)CCC([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000596655747 469324047 /nfs/dbraw/zinc/32/40/47/469324047.db2.gz YKRZLRGYNFFHTK-UHFFFAOYSA-N 2 0 337.427 2.135 10 30 EEEERP C[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000086897845 526366729 /nfs/dbraw/zinc/36/67/29/526366729.db2.gz YLWIMFPBMYAZOT-OAHLLOKOSA-N 2 0 349.548 2.484 10 30 EEEERP Cc1ccc([C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)[NH+]2CCCC2)cc1 ZINC000066244111 681445838 /nfs/dbraw/zinc/44/58/38/681445838.db2.gz BMBXVVCDBUZIDU-ROUUACIJSA-N 2 0 330.476 2.215 10 30 EEEERP C[NH+]=C(NCc1ccn(C2CCCC2)n1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261947564 682552546 /nfs/dbraw/zinc/55/25/46/682552546.db2.gz GJLYPBGEXTXLHX-KBXCAEBGSA-N 2 0 344.507 2.146 10 30 EEEERP C=C(Cl)C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001485652828 1191871809 /nfs/dbraw/zinc/87/18/09/1191871809.db2.gz GHFZFLXIMNHYBH-XHSDSOJGSA-N 2 0 339.911 2.440 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266891385 1177725327 /nfs/dbraw/zinc/72/53/27/1177725327.db2.gz OWWUOUWPVYHQOV-MSOLQXFVSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001267098748 1178237064 /nfs/dbraw/zinc/23/70/64/1178237064.db2.gz VUJBQZBJTKZBAX-SFHVURJKSA-N 2 0 341.499 2.333 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC[C@@H](C)F)C2)CC1 ZINC001267114146 1178274317 /nfs/dbraw/zinc/27/43/17/1178274317.db2.gz BUPVKOYIYHZBFE-SJLPKXTDSA-N 2 0 337.483 2.003 10 30 EEEERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001267828320 1180595408 /nfs/dbraw/zinc/59/54/08/1180595408.db2.gz VNAJRAXCKPTUSR-ZWKOTPCHSA-N 2 0 333.451 2.002 10 30 EEEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001481340344 1181070267 /nfs/dbraw/zinc/07/02/67/1181070267.db2.gz PGTUHRSJSYEETR-MRXNPFEDSA-N 2 0 327.472 2.212 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001268132828 1181785962 /nfs/dbraw/zinc/78/59/62/1181785962.db2.gz PRHQCARONKIGLL-QZTJIDSGSA-N 2 0 333.520 2.348 10 30 EEEERP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001268134419 1181789116 /nfs/dbraw/zinc/78/91/16/1181789116.db2.gz JDAORAQXKWQHKT-HKUYNNGSSA-N 2 0 329.488 2.174 10 30 EEEERP C=C(Br)C[NH2+]CCN(CC)C(=O)CC[NH+]1CCCCC1 ZINC001268499959 1183041683 /nfs/dbraw/zinc/04/16/83/1183041683.db2.gz SRULIAYRQOTCJV-UHFFFAOYSA-N 2 0 346.313 2.209 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)s1 ZINC001268629946 1183554438 /nfs/dbraw/zinc/55/44/38/1183554438.db2.gz BDXOPANWKHXBFU-BDUNBXCCSA-N 2 0 346.500 2.256 10 30 EEEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001269621709 1184446473 /nfs/dbraw/zinc/44/64/73/1184446473.db2.gz MLVXFZKNHIBBIB-SFHVURJKSA-N 2 0 337.483 2.003 10 30 EEEERP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001269633201 1184457877 /nfs/dbraw/zinc/45/78/77/1184457877.db2.gz VACSDBJQVDDVCM-UHFFFAOYSA-N 2 0 345.531 2.445 10 30 EEEERP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001269632742 1184458147 /nfs/dbraw/zinc/45/81/47/1184458147.db2.gz LWQBINHMXRWBJR-UHFFFAOYSA-N 2 0 331.504 2.055 10 30 EEEERP C#CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1CC ZINC001271446678 1186234555 /nfs/dbraw/zinc/23/45/55/1186234555.db2.gz OBLAIVODZVLDGM-OALUTQOASA-N 2 0 329.488 2.215 10 30 EEEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001271508662 1186277560 /nfs/dbraw/zinc/27/75/60/1186277560.db2.gz NJKZUYHRHZXRGZ-HZPDHXFCSA-N 2 0 339.443 2.284 10 30 EEEERP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C[C@H]2C1 ZINC001271893022 1186587498 /nfs/dbraw/zinc/58/74/98/1186587498.db2.gz ZRCFKMKCJASHHE-HSALFYBXSA-N 2 0 339.483 2.093 10 30 EEEERP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482842102 1187761830 /nfs/dbraw/zinc/76/18/30/1187761830.db2.gz UXWZTULEPSYDAH-APWZRJJASA-N 2 0 342.487 2.417 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482888366 1187814749 /nfs/dbraw/zinc/81/47/49/1187814749.db2.gz JKZFCZCQAGNQDT-HOCLYGCPSA-N 2 0 346.450 2.024 10 30 EEEERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001483164076 1188993645 /nfs/dbraw/zinc/99/36/45/1188993645.db2.gz SNOXZUUIRYFYIL-CRAIPNDOSA-N 2 0 349.906 2.372 10 30 EEEERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001485855712 1193617633 /nfs/dbraw/zinc/61/76/33/1193617633.db2.gz MOFOKBOPTAYQLR-YJBOKZPZSA-N 2 0 347.890 2.222 10 30 EEEERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001409393088 1189614497 /nfs/dbraw/zinc/61/44/97/1189614497.db2.gz JGCHKAWJPGCWMV-ZIAGYGMSSA-N 2 0 346.450 2.022 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001409400904 1189625800 /nfs/dbraw/zinc/62/58/00/1189625800.db2.gz SONUBXWWEGRBAL-CHWSQXEVSA-N 2 0 333.823 2.116 10 30 EEEERP C=C(Br)C[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001409451021 1189696963 /nfs/dbraw/zinc/69/69/63/1189696963.db2.gz LNVCYPSVEATANF-UHFFFAOYSA-N 2 0 346.313 2.206 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001272456500 1190831419 /nfs/dbraw/zinc/83/14/19/1190831419.db2.gz GILTZBBOOPFYFL-MJGOQNOKSA-N 2 0 331.504 2.245 10 30 EEEERP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001484987614 1191603801 /nfs/dbraw/zinc/60/38/01/1191603801.db2.gz DEAPVXXWSJWLOI-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC#Cc2ccccc2)C1)[NH+](C)C ZINC001485101591 1191652387 /nfs/dbraw/zinc/65/23/87/1191652387.db2.gz VSEGLNHFZALALN-SOAGJPPSSA-N 2 0 341.499 2.109 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273018788 1194324964 /nfs/dbraw/zinc/32/49/64/1194324964.db2.gz OSBGXQBEWLUUAA-HUUCEWRRSA-N 2 0 346.450 2.024 10 30 EEEERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000872229990 1198100037 /nfs/dbraw/zinc/10/00/37/1198100037.db2.gz USDLBCCLRALIPP-HFCFLWKCSA-N 2 0 331.460 2.150 10 30 EEEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001279180484 1198405137 /nfs/dbraw/zinc/40/51/37/1198405137.db2.gz DVILDYUTCMYQRP-UONOGXRCSA-N 2 0 335.414 2.273 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000876967732 1199832614 /nfs/dbraw/zinc/83/26/14/1199832614.db2.gz MCPFGLJSDLQSOX-IAGOWNOFSA-N 2 0 335.879 2.232 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001274106046 1204373043 /nfs/dbraw/zinc/37/30/43/1204373043.db2.gz UWWDWELLIVNJBV-AXMVSILFSA-N 2 0 340.471 2.195 10 30 EEEERP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001274960615 1205217680 /nfs/dbraw/zinc/21/76/80/1205217680.db2.gz RDUFPGWNSUTELX-OALUTQOASA-N 2 0 331.504 2.197 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001275571895 1205422461 /nfs/dbraw/zinc/42/24/61/1205422461.db2.gz RYDJEMMMGMQERS-JKSUJKDBSA-N 2 0 333.451 2.000 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001489339699 1290524285 /nfs/dbraw/zinc/52/42/85/1290524285.db2.gz URQSYGJMLCXNPR-LPHOPBHVSA-N 2 0 337.483 2.145 10 30 EEEERP CC[NH+](CC)[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)c1ccsc1 ZINC000852858965 1292217836 /nfs/dbraw/zinc/21/78/36/1292217836.db2.gz NITQMPXDPQARBR-KRWDZBQOSA-N 2 0 333.501 2.250 10 30 EEEERP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCO1 ZINC001276791946 1297753628 /nfs/dbraw/zinc/75/36/28/1297753628.db2.gz YVAIQUNLASNWEM-SJLPKXTDSA-N 2 0 337.508 2.033 10 30 EEEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC001156672872 1318155685 /nfs/dbraw/zinc/15/56/85/1318155685.db2.gz ZZTCUALHGUTTRS-QGZVFWFLSA-N 2 0 329.488 2.400 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001264755595 1322811161 /nfs/dbraw/zinc/81/11/61/1322811161.db2.gz WAMAZHHAPAMSCD-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001265624640 1323276875 /nfs/dbraw/zinc/27/68/75/1323276875.db2.gz WILSGGYSDDQLPW-IBGZPJMESA-N 2 0 341.499 2.256 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H](C)[NH2+]CC(=C)C)CC1 ZINC001266010650 1323562606 /nfs/dbraw/zinc/56/26/06/1323562606.db2.gz LNQJAGQUABBAJI-MJGOQNOKSA-N 2 0 331.504 2.267 10 30 EEEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001266063653 1323617668 /nfs/dbraw/zinc/61/76/68/1323617668.db2.gz MJCBCNVJVBROSK-RBUKOAKNSA-N 2 0 341.499 2.445 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001266067762 1323621848 /nfs/dbraw/zinc/62/18/48/1323621848.db2.gz NKGGVAWKIYUPNL-UXHICEINSA-N 2 0 341.499 2.445 10 30 EEEERP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001282310805 1325685580 /nfs/dbraw/zinc/68/55/80/1325685580.db2.gz SZDRXJWVOOSBQQ-SFHVURJKSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)CCC=C)C2)CC1 ZINC001282740975 1325777210 /nfs/dbraw/zinc/77/72/10/1325777210.db2.gz PTCZSLVQBROKFM-SJORKVTESA-N 2 0 331.504 2.123 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001283112015 1325922571 /nfs/dbraw/zinc/92/25/71/1325922571.db2.gz ZCYGIKRXXSMPTL-UAPYVXQJSA-N 2 0 333.520 2.252 10 30 EEEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001491834644 1330268428 /nfs/dbraw/zinc/26/84/28/1330268428.db2.gz KUFGEQGULBNJJF-QAPCUYQASA-N 2 0 325.472 2.213 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC/C=C\CC)CC1 ZINC001317514108 1332276104 /nfs/dbraw/zinc/27/61/04/1332276104.db2.gz UCMSHMFOBPZYBU-SFFCAUCYSA-N 2 0 331.504 2.269 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC(C)C)[C@@H](C)C2)CC1 ZINC001319710857 1332747856 /nfs/dbraw/zinc/74/78/56/1332747856.db2.gz NGLKGFAJQVVIPZ-PKOBYXMFSA-N 2 0 333.520 2.204 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001320444980 1332884902 /nfs/dbraw/zinc/88/49/02/1332884902.db2.gz DJBCIWBERRMCJE-AWEZNQCLSA-N 2 0 346.450 2.166 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC#Cc2cccc(Cl)c2)CC1 ZINC001323405005 1333456712 /nfs/dbraw/zinc/45/67/12/1333456712.db2.gz CYVOXAQREYRZKZ-QGZVFWFLSA-N 2 0 345.874 2.024 10 30 EEEERP C=CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CCOCC1 ZINC001325026112 1333814108 /nfs/dbraw/zinc/81/41/08/1333814108.db2.gz NCIHBKBXFJATER-SFHVURJKSA-N 2 0 345.487 2.120 10 30 EEEERP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001325631986 1333928652 /nfs/dbraw/zinc/92/86/52/1333928652.db2.gz JDEHPEVDJUVPTG-AKHDSKFASA-N 2 0 331.504 2.243 10 30 EEEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001325707941 1333944689 /nfs/dbraw/zinc/94/46/89/1333944689.db2.gz HMZIAIQRVYOXKD-IBGZPJMESA-N 2 0 327.472 2.112 10 30 EEEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001331282695 1334990657 /nfs/dbraw/zinc/99/06/57/1334990657.db2.gz OYMPBCXVKILMHP-AZUAARDMSA-N 2 0 345.531 2.491 10 30 EEEERP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001332007079 1335703747 /nfs/dbraw/zinc/70/37/47/1335703747.db2.gz HCDHXBYJMGEWBO-CABCVRRESA-N 2 0 325.416 2.036 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001566905159 1342649695 /nfs/dbraw/zinc/64/96/95/1342649695.db2.gz NQGCXTIFFQKWKT-VQIMIIECSA-N 2 0 337.483 2.050 10 30 EEEERP C=CCOCC[NH+]1CCC(C)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001569578049 1342900726 /nfs/dbraw/zinc/90/07/26/1342900726.db2.gz CVTJRWKCFGIEQH-IAGOWNOFSA-N 2 0 337.508 2.033 10 30 EEEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001570686719 1343102245 /nfs/dbraw/zinc/10/22/45/1343102245.db2.gz XWECPQURAQFAMZ-UHFFFAOYSA-N 2 0 329.488 2.459 10 30 EEEERP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001570973078 1343144283 /nfs/dbraw/zinc/14/42/83/1343144283.db2.gz KQVGQTXFYXIJRL-IRXDYDNUSA-N 2 0 337.508 2.033 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]21 ZINC001571512730 1343225131 /nfs/dbraw/zinc/22/51/31/1343225131.db2.gz KECFACVBSNLNIK-VAMGGRTRSA-N 2 0 345.531 2.493 10 30 EEEERP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[C@@H]3[NH3+])CC2)c1 ZINC001645909118 1352808663 /nfs/dbraw/zinc/80/86/63/1352808663.db2.gz IVRLGWCUZVJDDF-MOPGFXCFSA-N 2 0 340.471 2.156 10 30 EEEERP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656254539 1354219517 /nfs/dbraw/zinc/21/95/17/1354219517.db2.gz WAKUNNIMTWXNIQ-RBUKOAKNSA-N 2 0 329.488 2.489 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001661972058 1354730483 /nfs/dbraw/zinc/73/04/83/1354730483.db2.gz NGVYTSPTIHBVJB-MOPGFXCFSA-N 2 0 333.520 2.491 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001664309394 1355136218 /nfs/dbraw/zinc/13/62/18/1355136218.db2.gz ONPZPXUQZYJWSJ-WOJBJXKFSA-N 2 0 341.499 2.207 10 30 EEEERP CC[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001665834259 1355397412 /nfs/dbraw/zinc/39/74/12/1355397412.db2.gz OPXRZBRAQDNCGG-SFHVURJKSA-N 2 0 333.451 2.003 10 30 EEEERP C#CCC[NH+]1CCC(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001666364063 1355517295 /nfs/dbraw/zinc/51/72/95/1355517295.db2.gz DWCGHJGZOOWIBV-UHFFFAOYSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001667420791 1355738434 /nfs/dbraw/zinc/73/84/34/1355738434.db2.gz DFZIQCNERKJVHY-OALUTQOASA-N 2 0 331.504 2.197 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001671968339 1356445917 /nfs/dbraw/zinc/44/59/17/1356445917.db2.gz KJGZAGIPCJXITJ-CABCVRRESA-N 2 0 331.451 2.366 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001674720826 1356883255 /nfs/dbraw/zinc/88/32/55/1356883255.db2.gz DCABMVFRCDFYJX-CVEARBPZSA-N 2 0 345.462 2.002 10 30 EEEERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001674720828 1356883347 /nfs/dbraw/zinc/88/33/47/1356883347.db2.gz DCABMVFRCDFYJX-HOTGVXAUSA-N 2 0 345.462 2.002 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857935 779445755 /nfs/dbraw/zinc/44/57/55/779445755.db2.gz HGNCYDLFPNYMKF-MSOLQXFVSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941027201 779737629 /nfs/dbraw/zinc/73/76/29/779737629.db2.gz BOFFSZRZRYHSAI-LJQANCHMSA-N 2 0 341.499 2.254 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000913492663 788927602 /nfs/dbraw/zinc/92/76/02/788927602.db2.gz VYLBPRAOKVEXCP-UHFFFAOYSA-N 2 0 329.488 2.274 10 30 EEEERP C#CCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000923404178 789505590 /nfs/dbraw/zinc/50/55/90/789505590.db2.gz WQMUSHZHXCZOPF-IBGZPJMESA-N 2 0 346.519 2.132 10 30 EEEERP C#CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001565995449 1125492014 /nfs/dbraw/zinc/49/20/14/1125492014.db2.gz RRUXROKMLXNJDR-YZGWKJHDSA-N 2 0 345.531 2.491 10 30 EEEERP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1CC ZINC001566028845 1125505732 /nfs/dbraw/zinc/50/57/32/1125505732.db2.gz HSQBCYKEXNMEBT-OTWHNJEPSA-N 2 0 333.520 2.489 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001449023957 1094030370 /nfs/dbraw/zinc/03/03/70/1094030370.db2.gz AVXOIXMXWBOYKZ-HRCADAONSA-N 2 0 327.900 2.297 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001442249561 1096552028 /nfs/dbraw/zinc/55/20/28/1096552028.db2.gz FMURNGABKLBDEI-APWZRJJASA-N 2 0 342.487 2.415 10 30 EEEERP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cc(F)ccc1C#N ZINC001443975663 1098492797 /nfs/dbraw/zinc/49/27/97/1098492797.db2.gz ASLKETQSIVNBFN-KRWDZBQOSA-N 2 0 346.450 2.024 10 30 EEEERP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001479979825 1099433539 /nfs/dbraw/zinc/43/35/39/1099433539.db2.gz AXZBYIWMGNTYMR-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001480120073 1099684889 /nfs/dbraw/zinc/68/48/89/1099684889.db2.gz DEBGAULQJNCRQU-KRWDZBQOSA-N 2 0 346.450 2.120 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H](C)[NH2+]CCCC)C2)CC1 ZINC001496460052 1101050551 /nfs/dbraw/zinc/05/05/51/1101050551.db2.gz LEVSBDLKGILINQ-PKOBYXMFSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001498197207 1107064442 /nfs/dbraw/zinc/06/44/42/1107064442.db2.gz GNDXJWCUFXKXRE-IRXDYDNUSA-N 2 0 327.472 2.187 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C#N)ccc1F ZINC001493807190 1108687060 /nfs/dbraw/zinc/68/70/60/1108687060.db2.gz XFRSLVUNWFALAL-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001493831347 1108713923 /nfs/dbraw/zinc/71/39/23/1108713923.db2.gz NKQWZJFUIPJQHL-OAHLLOKOSA-N 2 0 338.455 2.496 10 30 EEEERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001493857974 1108743925 /nfs/dbraw/zinc/74/39/25/1108743925.db2.gz LRKULWKQQKTXKF-LJQANCHMSA-N 2 0 342.487 2.369 10 30 EEEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001499352154 1112246420 /nfs/dbraw/zinc/24/64/20/1112246420.db2.gz KZLGNWSBLVFIEU-INIZCTEOSA-N 2 0 331.863 2.190 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]C[C@@H](C)CC)CC2)CC1 ZINC001502811178 1113808359 /nfs/dbraw/zinc/80/83/59/1113808359.db2.gz OEFNFCFXZFXLHW-KRWDZBQOSA-N 2 0 333.520 2.348 10 30 EEEERP CCCC[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001506553549 1114694743 /nfs/dbraw/zinc/69/47/43/1114694743.db2.gz SLCUTGOXTUBHOI-HXUWFJFHSA-N 2 0 341.499 2.399 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001506903555 1114962284 /nfs/dbraw/zinc/96/22/84/1114962284.db2.gz NWIIANYZXJNNIV-PPUGGXLSSA-N 2 0 346.450 2.024 10 30 EEEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001567836678 1124136275 /nfs/dbraw/zinc/13/62/75/1124136275.db2.gz SIAOMFWRRZNMPI-HNNXBMFYSA-N 2 0 339.443 2.284 10 30 EEEERP C#CCC[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001568244454 1124382463 /nfs/dbraw/zinc/38/24/63/1124382463.db2.gz WGZSBKKXBVOINE-UHFFFAOYSA-N 2 0 331.504 2.150 10 30 EEEERP C#CCC[N@@H+](C)CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001568437612 1124506580 /nfs/dbraw/zinc/50/65/80/1124506580.db2.gz BLOIVPHZLOMSNZ-UHFFFAOYSA-N 2 0 331.504 2.199 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC=C(Cl)Cl)CC1 ZINC001568714845 1124733219 /nfs/dbraw/zinc/73/32/19/1124733219.db2.gz ZYTIHHXLKVFWCF-ZDUSSCGKSA-N 2 0 346.302 2.135 10 30 EEEERP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001565883553 1125448664 /nfs/dbraw/zinc/44/86/64/1125448664.db2.gz QCKCMYINKWRGMZ-RBUKOAKNSA-N 2 0 329.488 2.489 10 30 EEEERP C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000569256655 468464398 /nfs/dbraw/zinc/46/43/98/468464398.db2.gz LHEJATVBLOETGT-QGZVFWFLSA-N 2 0 340.471 2.003 10 30 EEEERP COC[C@H]1CCCC[NH+](CC#CC[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000366959276 466040991 /nfs/dbraw/zinc/04/09/91/466040991.db2.gz DGQLZFSVNOWGHS-PMACEKPBSA-N 2 0 336.520 2.487 10 30 EEEERP C=CCOc1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415123833 467496254 /nfs/dbraw/zinc/49/62/54/467496254.db2.gz JTFNTMUGPKWCAZ-KRWDZBQOSA-N 2 0 327.432 2.139 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C(C)C ZINC000669385706 471471943 /nfs/dbraw/zinc/47/19/43/471471943.db2.gz PEJSJRSXALMHOL-AZUAARDMSA-N 2 0 348.535 2.470 10 30 EEEERP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000662738685 472229338 /nfs/dbraw/zinc/22/93/38/472229338.db2.gz YPVGALISAWRUDG-AZUAARDMSA-N 2 0 327.472 2.466 10 30 EEEERP C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCO1 ZINC000262468543 686198578 /nfs/dbraw/zinc/19/85/78/686198578.db2.gz OEFIMUNCJAYLQJ-IIAWOOMASA-N 2 0 336.505 2.166 10 30 EEEERP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)COC2CC[NH+](C)CC2)cc1 ZINC001272701020 1191959482 /nfs/dbraw/zinc/95/94/82/1191959482.db2.gz RTNQVKDPKBMPPH-INIZCTEOSA-N 2 0 345.487 2.250 10 30 EEEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267051030 1178154742 /nfs/dbraw/zinc/15/47/42/1178154742.db2.gz ZWTFPTOERCBMKT-MRXNPFEDSA-N 2 0 339.443 2.285 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001267155369 1178339897 /nfs/dbraw/zinc/33/98/97/1178339897.db2.gz QUQJVQFZHLJESV-OAHLLOKOSA-N 2 0 333.501 2.078 10 30 EEEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001267184738 1178448907 /nfs/dbraw/zinc/44/89/07/1178448907.db2.gz FAAZKROBPPODPY-IEBWSBKVSA-N 2 0 345.531 2.491 10 30 EEEERP C=C(Br)C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001731961547 1179286007 /nfs/dbraw/zinc/28/60/07/1179286007.db2.gz KXOZBRIEJOYYBV-CQSZACIVSA-N 2 0 346.313 2.208 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001267576639 1179489952 /nfs/dbraw/zinc/48/99/52/1179489952.db2.gz UULCVLCVRZYOBH-LJQANCHMSA-N 2 0 341.499 2.256 10 30 EEEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001481334514 1181058297 /nfs/dbraw/zinc/05/82/97/1181058297.db2.gz YPCPACHCSDMMEJ-PKOBYXMFSA-N 2 0 333.520 2.347 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001268153034 1181843445 /nfs/dbraw/zinc/84/34/45/1181843445.db2.gz BSYZWKYRHLQJJT-DLBZAZTESA-N 2 0 325.472 2.050 10 30 EEEERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001268399094 1182483431 /nfs/dbraw/zinc/48/34/31/1182483431.db2.gz SUTPWKRCQYZUEZ-QFBILLFUSA-N 2 0 347.478 2.248 10 30 EEEERP C#CCC[NH2+]C[C@](C)(NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001481941599 1183000387 /nfs/dbraw/zinc/00/03/87/1183000387.db2.gz VBFPICLTNOXGJG-RBUKOAKNSA-N 2 0 337.483 2.097 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001269958735 1184744782 /nfs/dbraw/zinc/74/47/82/1184744782.db2.gz JAUOQABFXIOFTI-YLJYHZDGSA-N 2 0 341.499 2.397 10 30 EEEERP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001284738123 1184752674 /nfs/dbraw/zinc/75/26/74/1184752674.db2.gz SPRYUTNQQQZFSJ-ZIAGYGMSSA-N 2 0 335.414 2.272 10 30 EEEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001270761019 1185372490 /nfs/dbraw/zinc/37/24/90/1185372490.db2.gz RUUSMCOULHUXPR-HXUWFJFHSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001272071326 1187384870 /nfs/dbraw/zinc/38/48/70/1187384870.db2.gz GFALZGUHVPLXRV-YESZJQIVSA-N 2 0 325.472 2.165 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001482649299 1187479858 /nfs/dbraw/zinc/47/98/58/1187479858.db2.gz CEECXKKQAWIXPT-SFHVURJKSA-N 2 0 341.499 2.483 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001484550104 1191409821 /nfs/dbraw/zinc/40/98/21/1191409821.db2.gz PPFKJLQOOPJZOR-CQSZACIVSA-N 2 0 346.313 2.065 10 30 EEEERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485156294 1191668438 /nfs/dbraw/zinc/66/84/38/1191668438.db2.gz GITVHTGCXKKYQF-ZIAGYGMSSA-N 2 0 346.450 2.164 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272966505 1194275675 /nfs/dbraw/zinc/27/56/75/1194275675.db2.gz IVEYABCEDLZOPA-KSSFIOAISA-N 2 0 346.450 2.166 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001273204584 1197518803 /nfs/dbraw/zinc/51/88/03/1197518803.db2.gz LWBJBTXVYBNYRB-WDGDVPDHSA-N 2 0 346.302 2.135 10 30 EEEERP C#C[C@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)CC1 ZINC000876443931 1199632036 /nfs/dbraw/zinc/63/20/36/1199632036.db2.gz VHLFVVQUEJFADE-GUDVDZBRSA-N 2 0 348.535 2.236 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(CN2CCOCC2)ccc1C ZINC000876770694 1199766746 /nfs/dbraw/zinc/76/67/46/1199766746.db2.gz PRNKXSFCCCLVJE-HNNXBMFYSA-N 2 0 337.851 2.236 10 30 EEEERP CC[N@@H+](CC#Cc1ccccc1)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001490343040 1291158288 /nfs/dbraw/zinc/15/82/88/1291158288.db2.gz MKLRVDXCZZFBPY-UHFFFAOYSA-N 2 0 341.499 2.208 10 30 EEEERP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001490594679 1291495827 /nfs/dbraw/zinc/49/58/27/1291495827.db2.gz HUBJBNVCDCAEFT-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC2CCCCC2)C2CC2)CC1 ZINC001490742815 1291657518 /nfs/dbraw/zinc/65/75/18/1291657518.db2.gz UXALNOWAFAGAFV-FQEVSTJZSA-N 2 0 345.531 2.396 10 30 EEEERP C#CCOCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856605754 1293579529 /nfs/dbraw/zinc/57/95/29/1293579529.db2.gz DXRYYDPTAUPEAQ-LJQANCHMSA-N 2 0 331.460 2.025 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001277149126 1301517157 /nfs/dbraw/zinc/51/71/57/1301517157.db2.gz ZMUUDSKLWMJOBL-QAPCUYQASA-N 2 0 328.460 2.027 10 30 EEEERP C#CC[NH2+]CCC[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001277547455 1303884987 /nfs/dbraw/zinc/88/49/87/1303884987.db2.gz GASUSZWUTSKEAK-PKOBYXMFSA-N 2 0 327.472 2.189 10 30 EEEERP C=CCCC[NH+]1CCC2(CO[C@@H](CNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001278101119 1305944086 /nfs/dbraw/zinc/94/40/86/1305944086.db2.gz DQNCGEILDVEMEW-GOSISDBHSA-N 2 0 349.519 2.036 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001278163090 1306145388 /nfs/dbraw/zinc/14/53/88/1306145388.db2.gz AXOLDOCWNGBOIV-MJGOQNOKSA-N 2 0 331.504 2.338 10 30 EEEERP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC2CC2)CC1 ZINC001278194995 1306246309 /nfs/dbraw/zinc/24/63/09/1306246309.db2.gz ZNNNZMBZZRQHHK-GOSISDBHSA-N 2 0 331.504 2.055 10 30 EEEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC001156672871 1318155445 /nfs/dbraw/zinc/15/54/45/1318155445.db2.gz ZZTCUALHGUTTRS-KRWDZBQOSA-N 2 0 329.488 2.400 10 30 EEEERP CC[N@H+](C)CCC(=O)NCCC[NH+](C)CC#Cc1ccc(Cl)cc1 ZINC001265948038 1323510852 /nfs/dbraw/zinc/51/08/52/1323510852.db2.gz HIAWKXLVLYDXHO-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001266192544 1323755510 /nfs/dbraw/zinc/75/55/10/1323755510.db2.gz YAXBFSYIIKMXRN-KRWDZBQOSA-N 2 0 333.520 2.396 10 30 EEEERP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001284244349 1326472909 /nfs/dbraw/zinc/47/29/09/1326472909.db2.gz JJLJVAUIOLWPBO-HZPDHXFCSA-N 2 0 331.460 2.243 10 30 EEEERP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1(C)C ZINC001284309212 1326498840 /nfs/dbraw/zinc/49/88/40/1326498840.db2.gz HELXJXUIXHYKLH-QGZVFWFLSA-N 2 0 339.443 2.284 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001317355101 1332192216 /nfs/dbraw/zinc/19/22/16/1332192216.db2.gz KZXFIJHTBTXENQ-RBUKOAKNSA-N 2 0 345.462 2.146 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001318968121 1332630584 /nfs/dbraw/zinc/63/05/84/1332630584.db2.gz BBQIFZKEZSGSHA-WGSAOQKQSA-N 2 0 345.462 2.146 10 30 EEEERP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001319039954 1332640830 /nfs/dbraw/zinc/64/08/30/1332640830.db2.gz RSBPBECDKUJDGF-RBUKOAKNSA-N 2 0 333.520 2.348 10 30 EEEERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]CC#Cc1ccccc1 ZINC001319195251 1332663518 /nfs/dbraw/zinc/66/35/18/1332663518.db2.gz GJODJRJWILGBFK-UYAOXDASSA-N 2 0 341.499 2.254 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001319594800 1332726216 /nfs/dbraw/zinc/72/62/16/1332726216.db2.gz WORUPHHNZKGQRS-INIZCTEOSA-N 2 0 349.906 2.468 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001320423146 1332879987 /nfs/dbraw/zinc/87/99/87/1332879987.db2.gz UIZQBDBMYZLUDT-RRQGHBQHSA-N 2 0 348.516 2.334 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320465569 1332890852 /nfs/dbraw/zinc/89/08/52/1332890852.db2.gz ZFAZAQAIDWFPRE-BBRMVZONSA-N 2 0 334.489 2.088 10 30 EEEERP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001322347436 1333251443 /nfs/dbraw/zinc/25/14/43/1333251443.db2.gz SOVYKKQUVRZMDO-UYAOXDASSA-N 2 0 341.499 2.302 10 30 EEEERP C#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001324869163 1333777343 /nfs/dbraw/zinc/77/73/43/1333777343.db2.gz OFYSXXCEGZTHGP-GOSISDBHSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001325577102 1333915304 /nfs/dbraw/zinc/91/53/04/1333915304.db2.gz URTWCPMTVUEZEM-QFBILLFUSA-N 2 0 327.472 2.069 10 30 EEEERP C=C(C)C[NH2+]CC1(NC(=O)COC2CC[NH+](C)CC2)CCCCC1 ZINC001329860825 1334728899 /nfs/dbraw/zinc/72/88/99/1334728899.db2.gz JKYCJAHJYJAHOF-UHFFFAOYSA-N 2 0 337.508 2.082 10 30 EEEERP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)N1CC#N ZINC001332021811 1335707385 /nfs/dbraw/zinc/70/73/85/1335707385.db2.gz PTUIKXIBZCOKOG-CALCHBBNSA-N 2 0 330.476 2.045 10 30 EEEERP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001339721441 1337060522 /nfs/dbraw/zinc/06/05/22/1337060522.db2.gz YAOXBBDKJBTNRF-MRXNPFEDSA-N 2 0 346.523 2.194 10 30 EEEERP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001351862216 1337857746 /nfs/dbraw/zinc/85/77/46/1337857746.db2.gz UIUXWIWHSSVQFF-YESZJQIVSA-N 2 0 346.523 2.192 10 30 EEEERP C=CCC[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001566724334 1342614900 /nfs/dbraw/zinc/61/49/00/1342614900.db2.gz HBQNGIXQRMGDCT-MAUKXSAKSA-N 2 0 325.472 2.259 10 30 EEEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001569521208 1342891929 /nfs/dbraw/zinc/89/19/29/1342891929.db2.gz BDKLHJNLGIQGQJ-DLBZAZTESA-N 2 0 337.508 2.033 10 30 EEEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001569725550 1342934328 /nfs/dbraw/zinc/93/43/28/1342934328.db2.gz AXSAGADVDQBSHQ-HXUWFJFHSA-N 2 0 333.520 2.494 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001661972059 1354730563 /nfs/dbraw/zinc/73/05/63/1354730563.db2.gz NGVYTSPTIHBVJB-OALUTQOASA-N 2 0 333.520 2.491 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1cc(F)ccc1C#N ZINC001664396008 1355154583 /nfs/dbraw/zinc/15/45/83/1355154583.db2.gz YKLICXRCKNUKBN-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001666151849 1355468136 /nfs/dbraw/zinc/46/81/36/1355468136.db2.gz KGYMGVPQGHEXIK-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001669481891 1356164388 /nfs/dbraw/zinc/16/43/88/1356164388.db2.gz AJOMAAKHTDGNTM-GOSISDBHSA-N 2 0 341.499 2.243 10 30 EEEERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001669661303 1356190946 /nfs/dbraw/zinc/19/09/46/1356190946.db2.gz AJGVXCADTDVSEE-LPHOPBHVSA-N 2 0 347.478 2.392 10 30 EEEERP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC[NH+](CCCC)CC1 ZINC001671481277 1356346907 /nfs/dbraw/zinc/34/69/07/1356346907.db2.gz FBBONAZMKIGGJZ-IAGOWNOFSA-N 2 0 328.460 2.240 10 30 EEEERP C#CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCC(C)C)CC1 ZINC001671477621 1356347002 /nfs/dbraw/zinc/34/70/02/1356347002.db2.gz STVFEVZTFNIHDH-FQEVSTJZSA-N 2 0 345.531 2.301 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001672990623 1356627608 /nfs/dbraw/zinc/62/76/08/1356627608.db2.gz BXLUKIFSUXEJNG-VJANTYMQSA-N 2 0 333.520 2.395 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001699109342 1405265748 /nfs/dbraw/zinc/26/57/48/1405265748.db2.gz IHWOMDXPOZWRCV-KSSFIOAISA-N 2 0 348.466 2.268 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC2CCCC2)CC1 ZINC000940157984 778192011 /nfs/dbraw/zinc/19/20/11/778192011.db2.gz ITHODMZPLDOYLR-SFHVURJKSA-N 2 0 331.504 2.245 10 30 EEEERP [NH3+]CCCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923531464 789729760 /nfs/dbraw/zinc/72/97/60/789729760.db2.gz RCMXBXVYRPCZHQ-KNVOCYPGSA-N 2 0 326.231 2.438 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cccc(C#N)c1 ZINC001566458763 1125618818 /nfs/dbraw/zinc/61/88/18/1125618818.db2.gz JUTWAMINTXZQQT-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001438663349 1091152359 /nfs/dbraw/zinc/15/23/59/1091152359.db2.gz JLSYZABCNLBFCT-CABCVRRESA-N 2 0 348.516 2.431 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001441936436 1096129780 /nfs/dbraw/zinc/12/97/80/1096129780.db2.gz KRWMGEIZYYVPED-ZIAGYGMSSA-N 2 0 346.313 2.111 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC(C)C)C2)CC1 ZINC001479915175 1099318449 /nfs/dbraw/zinc/31/84/49/1099318449.db2.gz LGAAXENEZILIFG-LJQANCHMSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001496272481 1100850557 /nfs/dbraw/zinc/85/05/57/1100850557.db2.gz PYCISOPMBCPJQZ-HOTGVXAUSA-N 2 0 327.900 2.201 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001446580485 1101069777 /nfs/dbraw/zinc/06/97/77/1101069777.db2.gz UXHAYENZJJIJOI-ZMSDIMECSA-N 2 0 327.900 2.297 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001496603452 1101204037 /nfs/dbraw/zinc/20/40/37/1101204037.db2.gz ROVQIEJUELNTTR-VQIMIIECSA-N 2 0 342.487 2.130 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497253225 1102197239 /nfs/dbraw/zinc/19/72/39/1102197239.db2.gz QDSGFQSSMGUMDO-QAPCUYQASA-N 2 0 328.460 2.027 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001493907119 1103099144 /nfs/dbraw/zinc/09/91/44/1103099144.db2.gz WOZQIUVDABOJBV-IBGZPJMESA-N 2 0 327.472 2.333 10 30 EEEERP CN(CCC[NH2+]Cc1ccccc1C#N)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001498560384 1107723188 /nfs/dbraw/zinc/72/31/88/1107723188.db2.gz QLBLFMLXWVWJAE-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP CN(CCC[NH2+]CC#Cc1ccccc1Cl)C(=O)CC[NH+](C)C ZINC001498605624 1107798906 /nfs/dbraw/zinc/79/89/06/1107798906.db2.gz ANVJRXDVNNBZNB-UHFFFAOYSA-N 2 0 335.879 2.081 10 30 EEEERP CCC[N@@H+](CC#Cc1ccccc1Cl)CCNC(=O)CC[NH+](C)C ZINC001493313228 1107913969 /nfs/dbraw/zinc/91/39/69/1107913969.db2.gz CCPKQMIQJHXQQU-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001493857973 1108744008 /nfs/dbraw/zinc/74/40/08/1108744008.db2.gz LRKULWKQQKTXKF-IBGZPJMESA-N 2 0 342.487 2.369 10 30 EEEERP C=CC[N@@H+](CCNC(=O)[C@H]1CN(CC)CCO1)C1CCCCCC1 ZINC001499523105 1112340056 /nfs/dbraw/zinc/34/00/56/1112340056.db2.gz JIAZEPRFAAZCQY-GOSISDBHSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCCC=C)CC1 ZINC001500037765 1112588288 /nfs/dbraw/zinc/58/82/88/1112588288.db2.gz LXKPSVCMQCMVLE-IEBWSBKVSA-N 2 0 331.504 2.219 10 30 EEEERP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001500054603 1112595031 /nfs/dbraw/zinc/59/50/31/1112595031.db2.gz RPPBYJJOFQODIL-INIZCTEOSA-N 2 0 325.472 2.003 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001501152593 1113216856 /nfs/dbraw/zinc/21/68/56/1113216856.db2.gz AEAMOGNJKJRJHD-HOCLYGCPSA-N 2 0 327.900 2.299 10 30 EEEERP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]2C1 ZINC001501226593 1113251760 /nfs/dbraw/zinc/25/17/60/1113251760.db2.gz SUZFUEVWXQEYMZ-HDICACEKSA-N 2 0 333.520 2.465 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001502406771 1113671527 /nfs/dbraw/zinc/67/15/27/1113671527.db2.gz SDYRJVAGMCFMMW-RBUKOAKNSA-N 2 0 333.520 2.445 10 30 EEEERP C=CCCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001506871621 1114942132 /nfs/dbraw/zinc/94/21/32/1114942132.db2.gz AHZVOMJBWNOROJ-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C#CCC[NH+](C)C1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001506962466 1115011260 /nfs/dbraw/zinc/01/12/60/1115011260.db2.gz BNWJYRBKFDUOMP-UHFFFAOYSA-N 2 0 341.499 2.107 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001507161790 1115141800 /nfs/dbraw/zinc/14/18/00/1115141800.db2.gz MPMAEZRLBXVTIT-UONOGXRCSA-N 2 0 346.313 2.206 10 30 EEEERP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001507458773 1115281546 /nfs/dbraw/zinc/28/15/46/1115281546.db2.gz UDTMZBXLCYENRD-HUUCEWRRSA-N 2 0 347.425 2.275 10 30 EEEERP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001568410130 1124479357 /nfs/dbraw/zinc/47/93/57/1124479357.db2.gz RLQXNEOBFCZEJA-QZTJIDSGSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569169844 1125142461 /nfs/dbraw/zinc/14/24/61/1125142461.db2.gz OVLODHTTWMNTNK-OALUTQOASA-N 2 0 331.504 2.006 10 30 EEEERP CN(CCC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001569229866 1125181143 /nfs/dbraw/zinc/18/11/43/1125181143.db2.gz JZUVQLUAKAFUAN-GOSISDBHSA-N 2 0 347.890 2.224 10 30 EEEERP C#CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000072284314 463497536 /nfs/dbraw/zinc/49/75/36/463497536.db2.gz YMLVHWUBHGPKHV-INIZCTEOSA-N 2 0 333.501 2.031 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000594441292 468588927 /nfs/dbraw/zinc/58/89/27/468588927.db2.gz QNISHEXNUHMVBE-ZWKOTPCHSA-N 2 0 328.460 2.351 10 30 EEEERP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594920888 468722526 /nfs/dbraw/zinc/72/25/26/468722526.db2.gz BLDNPUFFVGEJHD-UHFFFAOYSA-N 2 0 326.488 2.359 10 30 EEEERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594924541 468723849 /nfs/dbraw/zinc/72/38/49/468723849.db2.gz JQCZIRBUINTKJX-KRWDZBQOSA-N 2 0 326.488 2.357 10 30 EEEERP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599358552 469224665 /nfs/dbraw/zinc/22/46/65/469224665.db2.gz FBWWKGKVMRLZKM-JENIJYKNSA-N 2 0 349.519 2.300 10 30 EEEERP C[NH+]=C(NCc1ccc(F)c(C[NH+](C)C)c1)N1CC[C@]2(CCOC2)C1 ZINC000262004163 682786666 /nfs/dbraw/zinc/78/66/66/682786666.db2.gz VEZLMGCUNIQELY-IBGZPJMESA-N 2 0 348.466 2.075 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H](C)[NH2+]CCCC)CC2)CC1 ZINC001267222520 1178532645 /nfs/dbraw/zinc/53/26/45/1178532645.db2.gz NXDZVCGAKGCMJK-QGZVFWFLSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1 ZINC001267938349 1180793812 /nfs/dbraw/zinc/79/38/12/1180793812.db2.gz TYOQBCWHEIOJPC-VQTJNVASSA-N 2 0 339.483 2.433 10 30 EEEERP C=C(Br)CN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001481357511 1181114962 /nfs/dbraw/zinc/11/49/62/1181114962.db2.gz ABNJSWUCCKYHCW-AWEZNQCLSA-N 2 0 346.313 2.063 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC(=C)Cl)CC(C)C)CC1 ZINC001268116567 1181761151 /nfs/dbraw/zinc/76/11/51/1181761151.db2.gz PYUAPOWRJWHBDA-QGZVFWFLSA-N 2 0 339.911 2.205 10 30 EEEERP CN(CC#Cc1ccc(Cl)cc1)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268257414 1182090560 /nfs/dbraw/zinc/09/05/60/1182090560.db2.gz SCGYTOKZJWQBSV-KRWDZBQOSA-N 2 0 347.890 2.033 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268295232 1182185978 /nfs/dbraw/zinc/18/59/78/1182185978.db2.gz QVGJQKCJRQLTAC-OALUTQOASA-N 2 0 327.472 2.260 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)C1([NH+](C)C)CCC1 ZINC001268369078 1182355287 /nfs/dbraw/zinc/35/52/87/1182355287.db2.gz QTQQNGNFBMQNRP-HNNXBMFYSA-N 2 0 328.460 2.027 10 30 EEEERP C#CCC[NH+]1CC2(C1)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)CC2 ZINC001482243357 1184623528 /nfs/dbraw/zinc/62/35/28/1184623528.db2.gz RSGQWCPONKMGDG-UHFFFAOYSA-N 2 0 345.531 2.446 10 30 EEEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001269908243 1184708872 /nfs/dbraw/zinc/70/88/72/1184708872.db2.gz LROHTSLDLPPHDL-AWEZNQCLSA-N 2 0 327.900 2.299 10 30 EEEERP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001270650829 1185266797 /nfs/dbraw/zinc/26/67/97/1185266797.db2.gz NIDVJJORINMRQZ-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001482329875 1185411934 /nfs/dbraw/zinc/41/19/34/1185411934.db2.gz FOUWCOUJECUMHP-CJNGLKHVSA-N 2 0 333.879 2.388 10 30 EEEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001271417866 1186204016 /nfs/dbraw/zinc/20/40/16/1186204016.db2.gz TVKLZVVLBAECKR-PXNSSMCTSA-N 2 0 341.499 2.254 10 30 EEEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001271807274 1186506911 /nfs/dbraw/zinc/50/69/11/1186506911.db2.gz ZESDVTKBHXCOJG-LJQANCHMSA-N 2 0 327.472 2.133 10 30 EEEERP CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC#Cc1ccccc1 ZINC001482532910 1186536829 /nfs/dbraw/zinc/53/68/29/1186536829.db2.gz IXQUKSARHZYLBC-FQEVSTJZSA-N 2 0 341.499 2.253 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001482894826 1187822743 /nfs/dbraw/zinc/82/27/43/1187822743.db2.gz PFQGYKSXDSAFBH-KDOFPFPSSA-N 2 0 346.500 2.090 10 30 EEEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001409265279 1188283325 /nfs/dbraw/zinc/28/33/25/1188283325.db2.gz CSFUMWGSUZFLQC-UYSNPLJNSA-N 2 0 327.900 2.486 10 30 EEEERP C[NH+](C)CCCC(=O)NC/C=C\C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001483054123 1188311334 /nfs/dbraw/zinc/31/13/34/1188311334.db2.gz KTDLNXDOMXYBTM-ARJAWSKDSA-N 2 0 347.890 2.295 10 30 EEEERP C#CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001483984721 1191142179 /nfs/dbraw/zinc/14/21/79/1191142179.db2.gz WROFIXQAKCYLBI-FXAWDEMLSA-N 2 0 345.531 2.301 10 30 EEEERP C#CCN(C(=O)CCc1c[nH]cn1)C1CC[NH+](CCC2CC2)CC1 ZINC001483985063 1191142558 /nfs/dbraw/zinc/14/25/58/1191142558.db2.gz JSAOCDJYWZJLDW-UHFFFAOYSA-N 2 0 328.460 2.069 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001484143714 1191233201 /nfs/dbraw/zinc/23/32/01/1191233201.db2.gz OUEQOWHRMAICOT-QZTJIDSGSA-N 2 0 331.504 2.245 10 30 EEEERP C=CCC[NH2+]C1(C)CCN(C(=O)c2cnn(-c3ccncc3)c2)CC1 ZINC001484925739 1191572994 /nfs/dbraw/zinc/57/29/94/1191572994.db2.gz UWUVMLZHLLFBDW-UHFFFAOYSA-N 2 0 339.443 2.428 10 30 EEEERP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001485084677 1191647546 /nfs/dbraw/zinc/64/75/46/1191647546.db2.gz PNJCARDHAUIOIW-LJQANCHMSA-N 2 0 333.520 2.302 10 30 EEEERP CC#CC[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC001486234746 1193787575 /nfs/dbraw/zinc/78/75/75/1193787575.db2.gz WULRLMULIPRRJS-HNNXBMFYSA-N 2 0 333.501 2.273 10 30 EEEERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001273018728 1194325149 /nfs/dbraw/zinc/32/51/49/1194325149.db2.gz NRGHJBNNUPIDEQ-DYVFJYSZSA-N 2 0 334.439 2.022 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC(=C)C)C2)CC1 ZINC001691681074 1197485968 /nfs/dbraw/zinc/48/59/68/1197485968.db2.gz RHZXBZXVMVLPBX-PKOBYXMFSA-N 2 0 331.504 2.172 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccccc1Cl ZINC001273428600 1198811581 /nfs/dbraw/zinc/81/15/81/1198811581.db2.gz VWYCMHIFYONOFX-SFHVURJKSA-N 2 0 347.890 2.376 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001411215781 1198924737 /nfs/dbraw/zinc/92/47/37/1198924737.db2.gz WRGCEFPGUZWIQM-CABCVRRESA-N 2 0 327.900 2.201 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876901065 1199813389 /nfs/dbraw/zinc/81/33/89/1199813389.db2.gz XWSFBLHALAMHIP-OIISXLGYSA-N 2 0 335.879 2.483 10 30 EEEERP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000867964019 1201716153 /nfs/dbraw/zinc/71/61/53/1201716153.db2.gz SBTMTQDBUMQLTF-FQEVSTJZSA-N 2 0 346.434 2.183 10 30 EEEERP C#CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)C1CC[NH+](C)CC1 ZINC000886582311 1202527187 /nfs/dbraw/zinc/52/71/87/1202527187.db2.gz OVQQITUSYCMLIF-UHFFFAOYSA-N 2 0 331.460 2.291 10 30 EEEERP C[C@H](CN(C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001275720766 1205498722 /nfs/dbraw/zinc/49/87/22/1205498722.db2.gz MOCAAUNBIWPCAR-WBVHZDCISA-N 2 0 347.890 2.080 10 30 EEEERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001276215420 1205841604 /nfs/dbraw/zinc/84/16/04/1205841604.db2.gz WAGBSBIPUXLLOH-GOSISDBHSA-N 2 0 330.476 2.083 10 30 EEEERP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903726695 1241733884 /nfs/dbraw/zinc/73/38/84/1241733884.db2.gz NEOXBPMHCOOYHC-MSOLQXFVSA-N 2 0 331.416 2.351 10 30 EEEERP Cc1c(C[C@H](C[NH3+])C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cnn1C ZINC000903931854 1242551605 /nfs/dbraw/zinc/55/16/05/1242551605.db2.gz JUGNKLGJOQPTMI-QGZVFWFLSA-N 2 0 337.471 2.387 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001491473347 1259118660 /nfs/dbraw/zinc/11/86/60/1259118660.db2.gz JGPYNJDGJIELJO-YJBOKZPZSA-N 2 0 328.460 2.027 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001672896033 1278406169 /nfs/dbraw/zinc/40/61/69/1278406169.db2.gz AFWYQRZEJKPFNO-ZIAGYGMSSA-N 2 0 346.313 2.063 10 30 EEEERP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001489337049 1290521250 /nfs/dbraw/zinc/52/12/50/1290521250.db2.gz HHRXYNGAKLATRO-AWEZNQCLSA-N 2 0 348.516 2.035 10 30 EEEERP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001490761358 1291690538 /nfs/dbraw/zinc/69/05/38/1291690538.db2.gz BABVQGYXVSQNAW-RTBURBONSA-N 2 0 333.520 2.301 10 30 EEEERP O=C(C#CC1CC[NH2+]CC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000852854878 1292216702 /nfs/dbraw/zinc/21/67/02/1292216702.db2.gz SMGARGORNCRYHP-INIZCTEOSA-N 2 0 331.485 2.004 10 30 EEEERP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001277294273 1302230871 /nfs/dbraw/zinc/23/08/71/1302230871.db2.gz JNZXNRIZIUNGSY-RTBURBONSA-N 2 0 331.504 2.199 10 30 EEEERP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001277981602 1305561793 /nfs/dbraw/zinc/56/17/93/1305561793.db2.gz NSKXWZRAWPEFAD-PMACEKPBSA-N 2 0 341.499 2.205 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001278200618 1306283154 /nfs/dbraw/zinc/28/31/54/1306283154.db2.gz PHWMKCFPVIDTMD-QZTJIDSGSA-N 2 0 331.504 2.219 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001278200617 1306284099 /nfs/dbraw/zinc/28/40/99/1306284099.db2.gz PHWMKCFPVIDTMD-MSOLQXFVSA-N 2 0 331.504 2.219 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)C(C)C ZINC001119409059 1309067809 /nfs/dbraw/zinc/06/78/09/1309067809.db2.gz DJGYMQGWZPSLBQ-FGTMMUONSA-N 2 0 334.508 2.221 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001264594117 1322745029 /nfs/dbraw/zinc/74/50/29/1322745029.db2.gz FFKYTFVYUTZCDU-UONOGXRCSA-N 2 0 335.414 2.131 10 30 EEEERP C=CC[NH+](CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001265176495 1322968432 /nfs/dbraw/zinc/96/84/32/1322968432.db2.gz ZKLHGVWWOJCQQW-GOSISDBHSA-N 2 0 325.472 2.356 10 30 EEEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001265397141 1323128144 /nfs/dbraw/zinc/12/81/44/1323128144.db2.gz SLDCLAOZGBVRFY-SFHVURJKSA-N 2 0 333.520 2.465 10 30 EEEERP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266235154 1323819832 /nfs/dbraw/zinc/81/98/32/1323819832.db2.gz SAEBQZILFZQAJH-GDBMZVCRSA-N 2 0 327.900 2.442 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001279195633 1323848816 /nfs/dbraw/zinc/84/88/16/1323848816.db2.gz ZDHRMHCHBMFAQQ-QFBILLFUSA-N 2 0 327.472 2.069 10 30 EEEERP C[C@H](NC(=O)CCCC[NH+](C)C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282220028 1325654980 /nfs/dbraw/zinc/65/49/80/1325654980.db2.gz NPEFUNIQMDUJOT-ROUUACIJSA-N 2 0 329.488 2.253 10 30 EEEERP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001283666911 1326191433 /nfs/dbraw/zinc/19/14/33/1326191433.db2.gz USPYFATUNSPJPY-INIZCTEOSA-N 2 0 349.906 2.470 10 30 EEEERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001283702980 1326210173 /nfs/dbraw/zinc/21/01/73/1326210173.db2.gz PPNFOHUDVDLICZ-CRAIPNDOSA-N 2 0 349.906 2.468 10 30 EEEERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001323098429 1333385254 /nfs/dbraw/zinc/38/52/54/1333385254.db2.gz CKYVLMUBUDZVIA-VQTJNVASSA-N 2 0 341.499 2.109 10 30 EEEERP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001323637408 1333503868 /nfs/dbraw/zinc/50/38/68/1333503868.db2.gz LPJSVRNJTXVFIP-KRWDZBQOSA-N 2 0 330.476 2.479 10 30 EEEERP C=CCOCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001323706176 1333521353 /nfs/dbraw/zinc/52/13/53/1333521353.db2.gz YJZINKVWIMMJBT-CEXWTWQISA-N 2 0 349.519 2.129 10 30 EEEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001323834987 1333550979 /nfs/dbraw/zinc/55/09/79/1333550979.db2.gz GFCRVHORBPISSO-UHFFFAOYSA-N 2 0 331.504 2.363 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001324377146 1333669896 /nfs/dbraw/zinc/66/98/96/1333669896.db2.gz NKLBYKLCIODHTK-SFHVURJKSA-N 2 0 345.512 2.269 10 30 EEEERP CN(CCC[N@H+](C)CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001327187662 1334242972 /nfs/dbraw/zinc/24/29/72/1334242972.db2.gz GGLUSZLLKRBNPS-IBGZPJMESA-N 2 0 345.462 2.052 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328098613 1334396082 /nfs/dbraw/zinc/39/60/82/1334396082.db2.gz PDBJRPPIDPQCRW-ROUUACIJSA-N 2 0 333.520 2.347 10 30 EEEERP C=CCC[NH2+]CC1CC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001328916193 1334547465 /nfs/dbraw/zinc/54/74/65/1334547465.db2.gz WCAVXGCSDMTWNF-JTTJXQCZSA-N 2 0 325.472 2.259 10 30 EEEERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001331631937 1335049270 /nfs/dbraw/zinc/04/92/70/1335049270.db2.gz ODSUMYWJQHWLPN-MRXNPFEDSA-N 2 0 347.890 2.224 10 30 EEEERP C=C(C)CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001502532433 1342204180 /nfs/dbraw/zinc/20/41/80/1342204180.db2.gz QKPZDAZQFRKRBF-LJQANCHMSA-N 2 0 329.488 2.447 10 30 EEEERP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001566879547 1342647109 /nfs/dbraw/zinc/64/71/09/1342647109.db2.gz OQDDKEPRIGTTDH-UXHICEINSA-N 2 0 341.499 2.207 10 30 EEEERP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001675919317 1357069888 /nfs/dbraw/zinc/06/98/88/1357069888.db2.gz GKWZEPCRTBYUSB-OAHLLOKOSA-N 2 0 327.900 2.489 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001569528760 1342893130 /nfs/dbraw/zinc/89/31/30/1342893130.db2.gz YHPQVXIFQDKJBF-VQIMIIECSA-N 2 0 327.472 2.354 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001649444914 1353508883 /nfs/dbraw/zinc/50/88/83/1353508883.db2.gz RSRWEDOAZDKJNU-SFHVURJKSA-N 2 0 327.472 2.331 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001661235648 1354615026 /nfs/dbraw/zinc/61/50/26/1354615026.db2.gz MADOSUAGGAUXRR-IBGZPJMESA-N 2 0 333.520 2.446 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001663461117 1354965111 /nfs/dbraw/zinc/96/51/11/1354965111.db2.gz HRZAOOKRDRCUML-RLLQIKCJSA-N 2 0 345.531 2.206 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001668267778 1355912009 /nfs/dbraw/zinc/91/20/09/1355912009.db2.gz MMRSRKQEILPAHH-CQSZACIVSA-N 2 0 327.900 2.345 10 30 EEEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001671758385 1356408969 /nfs/dbraw/zinc/40/89/69/1356408969.db2.gz IQZPRWCLHGOWIB-LJQANCHMSA-N 2 0 339.443 2.285 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](CC)CCC)CC2)CC1 ZINC001674352452 1356823253 /nfs/dbraw/zinc/82/32/53/1356823253.db2.gz BSWCADJRJAEWEN-UHFFFAOYSA-N 2 0 333.520 2.302 10 30 EEEERP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C[C@H]2C1 ZINC001675643603 1357027820 /nfs/dbraw/zinc/02/78/20/1357027820.db2.gz UMOLHYOAKYLTIH-GBESFXJTSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001699134805 1405284779 /nfs/dbraw/zinc/28/47/79/1405284779.db2.gz HIZIXXPWTPEHAW-UHOSZYNNSA-N 2 0 329.488 2.392 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCOCC1 ZINC001699884034 1405549680 /nfs/dbraw/zinc/54/96/80/1405549680.db2.gz AJIMGILZPDDYNT-QZTJIDSGSA-N 2 0 349.519 2.225 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001699943375 1405593276 /nfs/dbraw/zinc/59/32/76/1405593276.db2.gz HNCUFOQBIOMGNY-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCC2(C#N)CCOCC2)CC1 ZINC001171249725 790496679 /nfs/dbraw/zinc/49/66/79/790496679.db2.gz OWXVVZUVKAOUIO-UHFFFAOYSA-N 2 0 336.524 2.093 10 30 EEEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cn(C)c2cc(C)ccc12 ZINC000187144703 789400816 /nfs/dbraw/zinc/40/08/16/789400816.db2.gz CIKSDQAXINZMDC-QGZVFWFLSA-N 2 0 341.503 2.418 10 30 EEEERP C=CCn1c(C)cc(C(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1C ZINC000923451061 789583212 /nfs/dbraw/zinc/58/32/12/789583212.db2.gz LDZHPHDUTAOVSR-QGZVFWFLSA-N 2 0 345.487 2.303 10 30 EEEERP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001565987437 1125484088 /nfs/dbraw/zinc/48/40/88/1125484088.db2.gz NZSDZTKTJVBKEC-QZTJIDSGSA-N 2 0 331.504 2.102 10 30 EEEERP C=CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001566127381 1125575637 /nfs/dbraw/zinc/57/56/37/1125575637.db2.gz YATYLSGBXGYOEW-UHFFFAOYSA-N 2 0 336.505 2.035 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001439113776 1091759462 /nfs/dbraw/zinc/75/94/62/1091759462.db2.gz ACQYPQNKEUVWPZ-CZUORRHYSA-N 2 0 334.489 2.088 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C#N)cc1 ZINC001445875728 1091802732 /nfs/dbraw/zinc/80/27/32/1091802732.db2.gz FPSHQGOJFKPVMH-LPHOPBHVSA-N 2 0 342.487 2.369 10 30 EEEERP CC(C)N(CCN(C)Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001449254291 1094201873 /nfs/dbraw/zinc/20/18/73/1094201873.db2.gz BQJQWAWUZXJRPA-KRWDZBQOSA-N 2 0 348.516 2.383 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001441876495 1095997173 /nfs/dbraw/zinc/99/71/73/1095997173.db2.gz NVFVYZJGILPNRX-LPHOPBHVSA-N 2 0 342.487 2.273 10 30 EEEERP C#CCC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001479615923 1098639524 /nfs/dbraw/zinc/63/95/24/1098639524.db2.gz YXGHFUPOYFWZSK-NZSAHSFTSA-N 2 0 331.504 2.099 10 30 EEEERP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001479979827 1099433627 /nfs/dbraw/zinc/43/36/27/1099433627.db2.gz AXZBYIWMGNTYMR-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001480187503 1099782125 /nfs/dbraw/zinc/78/21/25/1099782125.db2.gz CURMBPIXQOIKIL-OALUTQOASA-N 2 0 333.520 2.445 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480472057 1100279583 /nfs/dbraw/zinc/27/95/83/1100279583.db2.gz MRKQNJQTIJIIML-APWZRJJASA-N 2 0 345.462 2.146 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001495280520 1100978743 /nfs/dbraw/zinc/97/87/43/1100978743.db2.gz PHOALHDXCIXRHG-NRFANRHFSA-N 2 0 341.499 2.254 10 30 EEEERP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494030449 1103388088 /nfs/dbraw/zinc/38/80/88/1103388088.db2.gz OTFZGERFMBDJTI-INIZCTEOSA-N 2 0 339.911 2.443 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001448031950 1103840971 /nfs/dbraw/zinc/84/09/71/1103840971.db2.gz FMYYVQOQAZDGED-VQIMIIECSA-N 2 0 342.487 2.369 10 30 EEEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001498337020 1107325223 /nfs/dbraw/zinc/32/52/23/1107325223.db2.gz GKAKCBJROQMWRJ-HNNXBMFYSA-N 2 0 327.432 2.284 10 30 EEEERP CN(CCC[N@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)CC[NH+](C)C ZINC001502371780 1113649628 /nfs/dbraw/zinc/64/96/28/1113649628.db2.gz YAYHJDUYSNXCLP-UHFFFAOYSA-N 2 0 349.906 2.424 10 30 EEEERP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001503690135 1113899419 /nfs/dbraw/zinc/89/94/19/1113899419.db2.gz FEMXWJBJOZHASF-LJQANCHMSA-N 2 0 327.472 2.066 10 30 EEEERP CN(CC(C)(C)C[NH2+]CC#Cc1ccccc1)C(=O)CCC[NH+](C)C ZINC001505831055 1114220647 /nfs/dbraw/zinc/22/06/47/1114220647.db2.gz HMDHQGIAFXSOEB-UHFFFAOYSA-N 2 0 343.515 2.454 10 30 EEEERP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CCN1C(=O)CCC[NH+](C)C ZINC001507291377 1115176960 /nfs/dbraw/zinc/17/69/60/1115176960.db2.gz VLNXLIRWCJFCKL-KDOFPFPSSA-N 2 0 346.450 2.118 10 30 EEEERP C=C(Br)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)CC1(C)C ZINC001507451396 1115277428 /nfs/dbraw/zinc/27/74/28/1115277428.db2.gz QPAKQVQADXPPCD-ZDUSSCGKSA-N 2 0 346.313 2.063 10 30 EEEERP C#CCC[NH+]1CCC(C2(NC(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC001508163170 1115432201 /nfs/dbraw/zinc/43/22/01/1115432201.db2.gz UPHHTWVIWYANIX-UHFFFAOYSA-N 2 0 331.504 2.247 10 30 EEEERP C=C(C[NH+](C)C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC001543406009 1124129308 /nfs/dbraw/zinc/12/93/08/1124129308.db2.gz IPYPHRWOOAGCEQ-QGZVFWFLSA-N 2 0 345.487 2.120 10 30 EEEERP C=CCOCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001568000945 1124224286 /nfs/dbraw/zinc/22/42/86/1124224286.db2.gz MCYFJLBCURYVDN-MSOLQXFVSA-N 2 0 349.519 2.225 10 30 EEEERP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001568406167 1124475309 /nfs/dbraw/zinc/47/53/09/1124475309.db2.gz FDUKUJOVYCPVEU-CABCVRRESA-N 2 0 333.501 2.273 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCC=C)CC1 ZINC001569176201 1125146497 /nfs/dbraw/zinc/14/64/97/1125146497.db2.gz ZHVDEVWQNALRJL-MOPGFXCFSA-N 2 0 331.504 2.172 10 30 EEEERP CCOC[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](COCC)C2)C1 ZINC000341882807 465272149 /nfs/dbraw/zinc/27/21/49/465272149.db2.gz MWVSKJQFHBEIJQ-BGYRXZFFSA-N 2 0 336.520 2.487 10 30 EEEERP C[C@]1(CCCO)CCC[NH+]1CC#CC[N@H+]1CCC[C@@]1(C)CCCO ZINC000341908478 465274114 /nfs/dbraw/zinc/27/41/14/465274114.db2.gz DOPLFDNFLZKFQY-BGYRXZFFSA-N 2 0 336.520 2.244 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000129110018 462689532 /nfs/dbraw/zinc/68/95/32/462689532.db2.gz YFFYZKGRPRTADA-AEFFLSMTSA-N 2 0 336.524 2.399 10 30 EEEERP C=CCOc1ccccc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414963965 467457949 /nfs/dbraw/zinc/45/79/49/467457949.db2.gz BKLDHPGNGRCNCK-MRXNPFEDSA-N 2 0 343.393 2.177 10 30 EEEERP CCC[C@]1(CO)CCC[NH+]1CC#CC[N@H+]1CCC[C@@]1(CO)CCC ZINC000515470376 467993974 /nfs/dbraw/zinc/99/39/74/467993974.db2.gz SMNCNQWTMLCCMX-WOJBJXKFSA-N 2 0 336.520 2.244 10 30 EEEERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436342 468585333 /nfs/dbraw/zinc/58/53/33/468585333.db2.gz DFMZMPSYQAEVCQ-MOPGFXCFSA-N 2 0 342.487 2.378 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000594444902 468590740 /nfs/dbraw/zinc/59/07/40/468590740.db2.gz ZVUSAJCSUHMFRG-HZPDHXFCSA-N 2 0 334.851 2.224 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000594445958 468591461 /nfs/dbraw/zinc/59/14/61/468591461.db2.gz OBRUYAYGOHUZON-MSOLQXFVSA-N 2 0 328.460 2.351 10 30 EEEERP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262331101 679138481 /nfs/dbraw/zinc/13/84/81/679138481.db2.gz AZDHYVMBYWQLIE-MIEORUQNSA-N 2 0 348.535 2.370 10 30 EEEERP [NH2+]=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CCOc2ccccc21 ZINC000262471587 686246542 /nfs/dbraw/zinc/24/65/42/686246542.db2.gz PCDKZRBCNMTIRT-DQPZFDDXSA-N 2 0 328.460 2.431 10 30 EEEERP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3nccn3C2)C(C)(C)C1 ZINC001485570982 1191840082 /nfs/dbraw/zinc/84/00/82/1191840082.db2.gz XSWFRKMOIUGVGY-HOTGVXAUSA-N 2 0 330.476 2.238 10 30 EEEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001272701587 1191961567 /nfs/dbraw/zinc/96/15/67/1191961567.db2.gz XCCJSWMCVHAHJB-SJLPKXTDSA-N 2 0 327.472 2.319 10 30 EEEERP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001266374489 1176443168 /nfs/dbraw/zinc/44/31/68/1176443168.db2.gz ZRYQYPSQBSWOLJ-KRWDZBQOSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@H]2CC[NH2+]CCC)CC1 ZINC001691308969 1177879647 /nfs/dbraw/zinc/87/96/47/1177879647.db2.gz JCPSPABBBXJDJF-PKOBYXMFSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@H]2CC[NH2+]CC2CC2)CC1 ZINC001691309441 1177880514 /nfs/dbraw/zinc/88/05/14/1177880514.db2.gz QJPROZOMYCEDGU-FXAWDEMLSA-N 2 0 345.531 2.348 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267092647 1178222729 /nfs/dbraw/zinc/22/27/29/1178222729.db2.gz DTIUOZJXCJMHAQ-WOJBJXKFSA-N 2 0 341.499 2.395 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001267182014 1178441577 /nfs/dbraw/zinc/44/15/77/1178441577.db2.gz SGOKTHVRPUCDMJ-RBUKOAKNSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@@H]1CC[N@H+](CC(=O)NCCN(C)CC#Cc2ccccc2Cl)C1 ZINC001267218034 1178523044 /nfs/dbraw/zinc/52/30/44/1178523044.db2.gz WQIQEPCKQHNINC-MRXNPFEDSA-N 2 0 347.890 2.081 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001267779983 1180518361 /nfs/dbraw/zinc/51/83/61/1180518361.db2.gz YEAKGMWQPRQNPP-GHOSXJJBSA-N 2 0 331.504 2.221 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001268214882 1182024127 /nfs/dbraw/zinc/02/41/27/1182024127.db2.gz XNAXMABNTCHUOX-MJGOQNOKSA-N 2 0 333.520 2.395 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001268402321 1182500432 /nfs/dbraw/zinc/50/04/32/1182500432.db2.gz GNCCGWHYXMIMGS-SFHVURJKSA-N 2 0 341.499 2.254 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001268549592 1183232161 /nfs/dbraw/zinc/23/21/61/1183232161.db2.gz QSBFCKHUDSQNLP-CWIOURORSA-N 2 0 346.500 2.256 10 30 EEEERP CN(CCC[NH2+]Cc1ccc(C#N)s1)C(=O)CC1CC[NH+](C)CC1 ZINC001268869272 1183777280 /nfs/dbraw/zinc/77/72/80/1183777280.db2.gz SEZXDECYBDQQGX-UHFFFAOYSA-N 2 0 348.516 2.290 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]Cc2ccc(C)cc2)CC1 ZINC001268958989 1183850996 /nfs/dbraw/zinc/85/09/96/1183850996.db2.gz SOYJTTBFIZWERO-UHFFFAOYSA-N 2 0 341.499 2.278 10 30 EEEERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001269510928 1184332754 /nfs/dbraw/zinc/33/27/54/1184332754.db2.gz SYYKWDMTQIOORF-DLBZAZTESA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[NH2+]CCC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001269943070 1184732072 /nfs/dbraw/zinc/73/20/72/1184732072.db2.gz HRGPNHPOIBOSQL-UHFFFAOYSA-N 2 0 327.472 2.213 10 30 EEEERP CC#CC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC001271347515 1186153932 /nfs/dbraw/zinc/15/39/32/1186153932.db2.gz PSTWPABMAWGMSY-LJQANCHMSA-N 2 0 333.520 2.396 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001271782723 1186480490 /nfs/dbraw/zinc/48/04/90/1186480490.db2.gz FTXDCJVGWGSZGH-NCXUSEDFSA-N 2 0 333.520 2.252 10 30 EEEERP CC[C@H](C(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1)[NH+](CC)CC ZINC001670855263 1187508775 /nfs/dbraw/zinc/50/87/75/1187508775.db2.gz SQYALRNZLXTEEG-LJQANCHMSA-N 2 0 341.499 2.397 10 30 EEEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001485836512 1193596210 /nfs/dbraw/zinc/59/62/10/1193596210.db2.gz CIKHJBBFRKPKGN-OALUTQOASA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001484000700 1191150583 /nfs/dbraw/zinc/15/05/83/1191150583.db2.gz IUZRFYNXSPVZCQ-RTBURBONSA-N 2 0 331.504 2.291 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]C[C@H](F)CC)CC2)CC1 ZINC001484928129 1191574066 /nfs/dbraw/zinc/57/40/66/1191574066.db2.gz IBOSLSXTWWLNMU-QGZVFWFLSA-N 2 0 337.483 2.050 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@H]1C ZINC001486185997 1193727253 /nfs/dbraw/zinc/72/72/53/1193727253.db2.gz FUKSREMYAIWBSE-LPHOPBHVSA-N 2 0 342.487 2.368 10 30 EEEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001691682444 1197488568 /nfs/dbraw/zinc/48/85/68/1197488568.db2.gz JKMDWCDKWDASAW-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000872230252 1198100344 /nfs/dbraw/zinc/10/03/44/1198100344.db2.gz WYFXCLMGZXYGAP-TVRKMHQQSA-N 2 0 331.460 2.150 10 30 EEEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1-n1ccc(C)n1 ZINC000128773249 1201629042 /nfs/dbraw/zinc/62/90/42/1201629042.db2.gz OBHRASORKNQGPJ-QGZVFWFLSA-N 2 0 340.475 2.069 10 30 EEEERP C=CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1Cc2ccccc2O1 ZINC000883191801 1202028800 /nfs/dbraw/zinc/02/88/00/1202028800.db2.gz JYRRRCQMIKSRHP-IEBWSBKVSA-N 2 0 330.472 2.371 10 30 EEEERP C#CCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000886577452 1202526432 /nfs/dbraw/zinc/52/64/32/1202526432.db2.gz IWTYPBSAHQPBCH-IBGZPJMESA-N 2 0 327.472 2.235 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001275039029 1205241860 /nfs/dbraw/zinc/24/18/60/1205241860.db2.gz OWLCIZNPENNEIG-MJGOQNOKSA-N 2 0 327.472 2.007 10 30 EEEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2cccc(C)c12 ZINC000303971858 1213934009 /nfs/dbraw/zinc/93/40/09/1213934009.db2.gz FFINMEQGPKXEAD-MRXNPFEDSA-N 2 0 327.476 2.407 10 30 EEEERP C[NH+]1CCC(CNC(=[NH2+])N2CCCCCC2)(N2CCCCC2)CC1 ZINC000305048275 1216136907 /nfs/dbraw/zinc/13/69/07/1216136907.db2.gz GHPLJYGICAAKPA-UHFFFAOYSA-N 2 0 335.540 2.127 10 30 EEEERP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)O2 ZINC001273675387 1282986336 /nfs/dbraw/zinc/98/63/36/1282986336.db2.gz HDVYDQNLKUGVST-SFHVURJKSA-N 2 0 349.519 2.178 10 30 EEEERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001490679939 1291561192 /nfs/dbraw/zinc/56/11/92/1291561192.db2.gz QCCIIHNRLFHGLN-IAGOWNOFSA-N 2 0 346.500 2.088 10 30 EEEERP C=CCOCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001276388530 1297158609 /nfs/dbraw/zinc/15/86/09/1297158609.db2.gz ISANWCWYPUNTQU-LPHOPBHVSA-N 2 0 349.519 2.033 10 30 EEEERP C=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)CC2 ZINC001276921839 1300274414 /nfs/dbraw/zinc/27/44/14/1300274414.db2.gz PFBIDKMYLKZBOQ-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP C[C@@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277147752 1301511545 /nfs/dbraw/zinc/51/15/45/1301511545.db2.gz GZBZQSVWIAWXRI-QFBILLFUSA-N 2 0 345.462 2.146 10 30 EEEERP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001277473680 1303560799 /nfs/dbraw/zinc/56/07/99/1303560799.db2.gz HUHXARNXUQMFCN-FQEVSTJZSA-N 2 0 333.520 2.302 10 30 EEEERP C=C(C)C[NH+]1CCC2(CO[C@@H](CNC(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001278101936 1305947580 /nfs/dbraw/zinc/94/75/80/1305947580.db2.gz LLJHRLCSVLNCGK-QGZVFWFLSA-N 2 0 349.519 2.034 10 30 EEEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001278498466 1310829257 /nfs/dbraw/zinc/82/92/57/1310829257.db2.gz LFGKUYVDUVWCOU-NQIIRXRSSA-N 2 0 345.531 2.493 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C(F)(F)F ZINC001278702628 1317793564 /nfs/dbraw/zinc/79/35/64/1317793564.db2.gz AUESPYUASVJFAO-KGLIPLIRSA-N 2 0 335.414 2.131 10 30 EEEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001264120877 1322633076 /nfs/dbraw/zinc/63/30/76/1322633076.db2.gz SOTOPVWPGDEABI-OALUTQOASA-N 2 0 333.520 2.491 10 30 EEEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001264483270 1322708440 /nfs/dbraw/zinc/70/84/40/1322708440.db2.gz YTOGTVXTBCTWQJ-PKOBYXMFSA-N 2 0 327.472 2.260 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001264648937 1322765705 /nfs/dbraw/zinc/76/57/05/1322765705.db2.gz JHEYHBMWCSOFST-MOPGFXCFSA-N 2 0 345.531 2.445 10 30 EEEERP C[N@@H+](CC#Cc1ccccc1)CCCNC(=O)CCC[NH+]1CCCC1 ZINC001265073163 1322907764 /nfs/dbraw/zinc/90/77/64/1322907764.db2.gz SBLZPXUZMSARRD-UHFFFAOYSA-N 2 0 341.499 2.352 10 30 EEEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265303790 1323055432 /nfs/dbraw/zinc/05/54/32/1323055432.db2.gz PCNXOPWKQDXPHP-QAPCUYQASA-N 2 0 325.472 2.356 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCCC2CCCC2)CC1 ZINC001265869805 1323443647 /nfs/dbraw/zinc/44/36/47/1323443647.db2.gz CFZACOUNOVNMSV-KRWDZBQOSA-N 2 0 333.520 2.396 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]CC(=C)C)CC1 ZINC001266010649 1323562663 /nfs/dbraw/zinc/56/26/63/1323562663.db2.gz LNQJAGQUABBAJI-IEBWSBKVSA-N 2 0 331.504 2.267 10 30 EEEERP C[NH+](C)CCCC(=O)N1CC[C@@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC001280173445 1324103264 /nfs/dbraw/zinc/10/32/64/1324103264.db2.gz OJGBXJGWIZFFFG-HXUWFJFHSA-N 2 0 341.499 2.208 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001284098226 1326405980 /nfs/dbraw/zinc/40/59/80/1326405980.db2.gz YANBXVDFWOZRSQ-OKZBNKHCSA-N 2 0 331.504 2.101 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001491858409 1330276429 /nfs/dbraw/zinc/27/64/29/1330276429.db2.gz HSQJWPJEMQXHOP-INIZCTEOSA-N 2 0 331.460 2.196 10 30 EEEERP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001316772444 1331885182 /nfs/dbraw/zinc/88/51/82/1331885182.db2.gz PQZWYQHVKKNVKG-ZWKOTPCHSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001316956507 1332015543 /nfs/dbraw/zinc/01/55/43/1332015543.db2.gz QHPVRHUQQKMNPL-QGZVFWFLSA-N 2 0 339.443 2.428 10 30 EEEERP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001317005570 1332041354 /nfs/dbraw/zinc/04/13/54/1332041354.db2.gz GQHULAVFNUKNSF-SFHVURJKSA-N 2 0 331.504 2.247 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001317369197 1332198792 /nfs/dbraw/zinc/19/87/92/1332198792.db2.gz WOXLRZLXSWIYTK-PMACEKPBSA-N 2 0 339.483 2.085 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317424586 1332228057 /nfs/dbraw/zinc/22/80/57/1332228057.db2.gz RJBCLADAEBFODN-GOSISDBHSA-N 2 0 331.504 2.247 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H](C)CC(C)C)CC1 ZINC001318228821 1332493181 /nfs/dbraw/zinc/49/31/81/1332493181.db2.gz SNYZMPIGXXDMSO-HOJAQTOUSA-N 2 0 345.531 2.299 10 30 EEEERP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001319241477 1332669790 /nfs/dbraw/zinc/66/97/90/1332669790.db2.gz CVGUBUXUZSCSML-QRQLOZEOSA-N 2 0 329.488 2.250 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001319285044 1332675560 /nfs/dbraw/zinc/67/55/60/1332675560.db2.gz JHUASRGGUNLPBF-KRWDZBQOSA-N 2 0 345.531 2.254 10 30 EEEERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001321098464 1333019645 /nfs/dbraw/zinc/01/96/45/1333019645.db2.gz WQBZULVYIZIUIV-GWQWAINWSA-N 2 0 346.500 2.256 10 30 EEEERP N#Cc1cccc(C[NH2+]C/C=C/CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001321416920 1333098415 /nfs/dbraw/zinc/09/84/15/1333098415.db2.gz MDDPMNCUDMPCPE-NSCUHMNNSA-N 2 0 340.471 2.196 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC2CCCC2)CC1 ZINC001324378194 1333669474 /nfs/dbraw/zinc/66/94/74/1333669474.db2.gz VNCJERCHWWKWIS-IBGZPJMESA-N 2 0 331.504 2.197 10 30 EEEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001326470222 1334099646 /nfs/dbraw/zinc/09/96/46/1334099646.db2.gz ZAUUISKNUNEAED-LPHOPBHVSA-N 2 0 327.472 2.459 10 30 EEEERP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001329935914 1334743616 /nfs/dbraw/zinc/74/36/16/1334743616.db2.gz IDPFXEJVVDGVSV-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(C)(C)C[NH3+])CC2)CC1 ZINC001338518861 1336871831 /nfs/dbraw/zinc/87/18/31/1336871831.db2.gz DQUSZZGNFRNAMO-UHFFFAOYSA-N 2 0 336.524 2.433 10 30 EEEERP C#CCN1CCC[C@@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001349849351 1337652593 /nfs/dbraw/zinc/65/25/93/1337652593.db2.gz LSQHDCIMMYDQSC-GOSISDBHSA-N 2 0 346.519 2.134 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001566939538 1342655291 /nfs/dbraw/zinc/65/52/91/1342655291.db2.gz FIQQYONEWNJHHQ-RTBURBONSA-N 2 0 331.504 2.387 10 30 EEEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001567198449 1342710043 /nfs/dbraw/zinc/71/00/43/1342710043.db2.gz IKNKRFYXBQIUOP-QFBILLFUSA-N 2 0 337.483 2.145 10 30 EEEERP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001571663378 1343265961 /nfs/dbraw/zinc/26/59/61/1343265961.db2.gz PJGHUWJRKINBNU-AOCRQIFASA-N 2 0 337.508 2.033 10 30 EEEERP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001677404072 1357328536 /nfs/dbraw/zinc/32/85/36/1357328536.db2.gz ZUUYIAJZJQDCOC-KVZIAJEVSA-N 2 0 349.519 2.175 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)c(F)c1 ZINC001677642479 1357381256 /nfs/dbraw/zinc/38/12/56/1357381256.db2.gz CBNXMRHBEUTFQK-IEBWSBKVSA-N 2 0 343.446 2.182 10 30 EEEERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001649439811 1353506009 /nfs/dbraw/zinc/50/60/09/1353506009.db2.gz HZWQZRABNIOSFJ-INIZCTEOSA-N 2 0 347.890 2.081 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001649451826 1353512872 /nfs/dbraw/zinc/51/28/72/1353512872.db2.gz VWCQATPCQFWXDS-INIZCTEOSA-N 2 0 342.487 2.417 10 30 EEEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCN1CCOCC1 ZINC001660464776 1354468666 /nfs/dbraw/zinc/46/86/66/1354468666.db2.gz LVHXHDSDRDOZFC-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001664241850 1355120470 /nfs/dbraw/zinc/12/04/70/1355120470.db2.gz XCDPWRDIGAXHBV-PBHICJAKSA-N 2 0 346.500 2.185 10 30 EEEERP C=CCC[N@@H+](C)CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001673454272 1355265224 /nfs/dbraw/zinc/26/52/24/1355265224.db2.gz FSLIWCYGYQHCFY-UHFFFAOYSA-N 2 0 327.432 2.237 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001665829201 1355396392 /nfs/dbraw/zinc/39/63/92/1355396392.db2.gz URIVEUMFOKVQSS-ZWKOTPCHSA-N 2 0 347.890 2.270 10 30 EEEERP CC#CC[N@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001667416642 1355738719 /nfs/dbraw/zinc/73/87/19/1355738719.db2.gz CNOSNOIQDQJLQM-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCC1 ZINC001671569727 1356364740 /nfs/dbraw/zinc/36/47/40/1356364740.db2.gz MLVYENMTOYGFSV-RBUKOAKNSA-N 2 0 333.520 2.395 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001672806600 1356589029 /nfs/dbraw/zinc/58/90/29/1356589029.db2.gz YRNBBDPCSPRMRY-PKOBYXMFSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001672929751 1356616833 /nfs/dbraw/zinc/61/68/33/1356616833.db2.gz PUKNBEMJUIXPIB-WOJBJXKFSA-N 2 0 339.483 2.385 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CCO1 ZINC001673288734 1356661888 /nfs/dbraw/zinc/66/18/88/1356661888.db2.gz OCNCAZWCOVZHBP-KRWDZBQOSA-N 2 0 337.508 2.033 10 30 EEEERP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001698956331 1405187851 /nfs/dbraw/zinc/18/78/51/1405187851.db2.gz SUXDYWICEUWIOF-FQEVSTJZSA-N 2 0 331.504 2.056 10 30 EEEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001565970673 1125478674 /nfs/dbraw/zinc/47/86/74/1125478674.db2.gz HGEAHVDXISZNKZ-QRVBRYPASA-N 2 0 333.520 2.348 10 30 EEEERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001440817523 1094070911 /nfs/dbraw/zinc/07/09/11/1094070911.db2.gz KJNWFQGKPMQNQY-KBPBESRZSA-N 2 0 334.439 2.022 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H](C)[NH2+]CCCF)CC1 ZINC001479835890 1099119518 /nfs/dbraw/zinc/11/95/18/1099119518.db2.gz YOGLENOISFRHLI-WMZOPIPTSA-N 2 0 337.483 2.050 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001444619751 1099445584 /nfs/dbraw/zinc/44/55/84/1099445584.db2.gz BNSJCZHWTZVMDV-CQSZACIVSA-N 2 0 346.450 2.118 10 30 EEEERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(C#N)ccc1F ZINC001444857579 1099846747 /nfs/dbraw/zinc/84/67/47/1099846747.db2.gz GGFLWDAYMIMPEL-MSOLQXFVSA-N 2 0 346.450 2.022 10 30 EEEERP CN(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)CC[C@H]1CCC[NH+]1C ZINC001444988270 1100117277 /nfs/dbraw/zinc/11/72/77/1100117277.db2.gz BXUGINGQDULBDS-LJQANCHMSA-N 2 0 342.487 2.323 10 30 EEEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001446580479 1101069335 /nfs/dbraw/zinc/06/93/35/1101069335.db2.gz UXHAYENZJJIJOI-UXLLHSPISA-N 2 0 327.900 2.297 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496146542 1102134269 /nfs/dbraw/zinc/13/42/69/1102134269.db2.gz YFAGVMTWHSBUSR-NSHGMRRFSA-N 2 0 341.499 2.205 10 30 EEEERP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497252202 1102195568 /nfs/dbraw/zinc/19/55/68/1102195568.db2.gz KMWWUWIPQMLHAP-KDOFPFPSSA-N 2 0 346.450 2.166 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001497334034 1102341792 /nfs/dbraw/zinc/34/17/92/1102341792.db2.gz WIIVAIDWJVUKBV-AWEZNQCLSA-N 2 0 334.439 2.022 10 30 EEEERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001497968786 1103434364 /nfs/dbraw/zinc/43/43/64/1103434364.db2.gz JMHAODBIEVCJAR-CRAIPNDOSA-N 2 0 349.906 2.372 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001448031918 1103840633 /nfs/dbraw/zinc/84/06/33/1103840633.db2.gz FMYYVQOQAZDGED-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001498050243 1106840304 /nfs/dbraw/zinc/84/03/04/1106840304.db2.gz AICOMNHRASUAAM-HNNXBMFYSA-N 2 0 347.890 2.270 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCC(=C)C)C2)CC1 ZINC001480711709 1106935893 /nfs/dbraw/zinc/93/58/93/1106935893.db2.gz ZUKYYNWFWWERHI-MOPGFXCFSA-N 2 0 331.504 2.315 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1CC ZINC001498901563 1108300891 /nfs/dbraw/zinc/30/08/91/1108300891.db2.gz GMYHPWNGTBPOGJ-PKOBYXMFSA-N 2 0 333.520 2.347 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001493846972 1108729487 /nfs/dbraw/zinc/72/94/87/1108729487.db2.gz MLVZTYLEGNKKAM-HUUCEWRRSA-N 2 0 327.900 2.297 10 30 EEEERP CC(C)(C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1)[NH+]1CCCC1 ZINC001499311330 1112229064 /nfs/dbraw/zinc/22/90/64/1112229064.db2.gz BGSYUBXDKLVLMV-UHFFFAOYSA-N 2 0 340.471 2.171 10 30 EEEERP C#CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH]cn1)C1CCCCCC1 ZINC001499523040 1112339755 /nfs/dbraw/zinc/33/97/55/1112339755.db2.gz XPQPOTABNFFIQV-MRXNPFEDSA-N 2 0 330.476 2.363 10 30 EEEERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001499915497 1112539438 /nfs/dbraw/zinc/53/94/38/1112539438.db2.gz BTVBTORPGONJBR-PMACEKPBSA-N 2 0 339.483 2.103 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001500029296 1112584434 /nfs/dbraw/zinc/58/44/34/1112584434.db2.gz IRSCQMQIMHFUEU-IBGZPJMESA-N 2 0 345.531 2.443 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C1CCCC1 ZINC001500106577 1112619813 /nfs/dbraw/zinc/61/98/13/1112619813.db2.gz HQBCUTIEOSWBPG-HXUWFJFHSA-N 2 0 341.499 2.254 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001501190323 1113235269 /nfs/dbraw/zinc/23/52/69/1113235269.db2.gz WZIGTMJYPZLOKT-WGSAOQKQSA-N 2 0 333.520 2.398 10 30 EEEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001507027748 1115065538 /nfs/dbraw/zinc/06/55/38/1115065538.db2.gz LFCJLYSBWNXAOF-VQIMIIECSA-N 2 0 337.483 2.049 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001507081243 1115098270 /nfs/dbraw/zinc/09/82/70/1115098270.db2.gz BKLKMPAGNVCERX-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001568120252 1124314105 /nfs/dbraw/zinc/31/41/05/1124314105.db2.gz QANPSMNWWHKIMJ-UHFFFAOYSA-N 2 0 327.472 2.290 10 30 EEEERP C[NH+]1CCC(CNC(=[NH2+])NC2CCCCC2)(N2CCCCC2)CC1 ZINC000262508120 464031412 /nfs/dbraw/zinc/03/14/12/464031412.db2.gz BWPBSTOBECUEDI-UHFFFAOYSA-N 2 0 335.540 2.174 10 30 EEEERP CCO[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451549512 467259564 /nfs/dbraw/zinc/25/95/64/467259564.db2.gz WBYJLCPTWZPWFR-JVSBHGNQSA-N 2 0 336.520 2.484 10 30 EEEERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437892 468586213 /nfs/dbraw/zinc/58/62/13/468586213.db2.gz QAQOPVMWUNISHA-NJAFHUGGSA-N 2 0 328.460 2.034 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000594439357 468588274 /nfs/dbraw/zinc/58/82/74/468588274.db2.gz UTWPKHBFSWEBPM-WBVHZDCISA-N 2 0 348.516 2.488 10 30 EEEERP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599358554 469225385 /nfs/dbraw/zinc/22/53/85/469225385.db2.gz FBWWKGKVMRLZKM-SCTDSRPQSA-N 2 0 349.519 2.300 10 30 EEEERP C=CC[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000662794804 472254824 /nfs/dbraw/zinc/25/48/24/472254824.db2.gz UBUNEKXWQDHVNN-YVWKXTFCSA-N 2 0 327.472 2.321 10 30 EEEERP C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261953669 682622924 /nfs/dbraw/zinc/62/29/24/682622924.db2.gz IDWNSMORKDEDNO-ZIAGYGMSSA-N 2 0 335.496 2.366 10 30 EEEERP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261957296 682636216 /nfs/dbraw/zinc/63/62/16/682636216.db2.gz JEDLSNWHZUIXMG-FIDHJVLJSA-N 2 0 336.524 2.084 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC001266352575 1176377895 /nfs/dbraw/zinc/37/78/95/1176377895.db2.gz DJXXDTAEYIURNT-SFHVURJKSA-N 2 0 347.890 2.224 10 30 EEEERP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266855997 1177582053 /nfs/dbraw/zinc/58/20/53/1177582053.db2.gz IUMABILXJORZTP-QFBILLFUSA-N 2 0 337.483 2.193 10 30 EEEERP C=C(Br)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001691374448 1177979910 /nfs/dbraw/zinc/97/99/10/1177979910.db2.gz ZPBLSSWELJERKA-CQSZACIVSA-N 2 0 346.313 2.063 10 30 EEEERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001267473890 1179106221 /nfs/dbraw/zinc/10/62/21/1179106221.db2.gz OWCCKBTUKGLIAX-IRXDYDNUSA-N 2 0 345.462 2.098 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001268646022 1183575866 /nfs/dbraw/zinc/57/58/66/1183575866.db2.gz MZVZEMHZBFXFAI-VQIMIIECSA-N 2 0 345.462 2.144 10 30 EEEERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001269498110 1184320819 /nfs/dbraw/zinc/32/08/19/1184320819.db2.gz NYGDJZQPTIMZMJ-RBUKOAKNSA-N 2 0 347.478 2.248 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482367422 1185525935 /nfs/dbraw/zinc/52/59/35/1185525935.db2.gz GWVULUIJTDVZQL-LJQANCHMSA-N 2 0 341.499 2.351 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC001271347514 1186153959 /nfs/dbraw/zinc/15/39/59/1186153959.db2.gz PSTWPABMAWGMSY-IBGZPJMESA-N 2 0 333.520 2.396 10 30 EEEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001271807273 1186506750 /nfs/dbraw/zinc/50/67/50/1186506750.db2.gz ZESDVTKBHXCOJG-IBGZPJMESA-N 2 0 327.472 2.133 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001272763855 1193485568 /nfs/dbraw/zinc/48/55/68/1193485568.db2.gz XAFIUNGCVRLWRH-GPMSIDNRSA-N 2 0 337.483 2.097 10 30 EEEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001485899572 1193644327 /nfs/dbraw/zinc/64/43/27/1193644327.db2.gz XMEJSXQFMVHSFR-OAHLLOKOSA-N 2 0 327.432 2.284 10 30 EEEERP C[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001486120520 1193687621 /nfs/dbraw/zinc/68/76/21/1193687621.db2.gz CBQIWRXYHWNFHV-RDJZCZTQSA-N 2 0 347.890 2.222 10 30 EEEERP CC#CC[N@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](C)C)cccc2C1 ZINC001484612091 1191437315 /nfs/dbraw/zinc/43/73/15/1191437315.db2.gz HLACHBASFGLUOY-IBGZPJMESA-N 2 0 327.472 2.024 10 30 EEEERP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001484771263 1191514060 /nfs/dbraw/zinc/51/40/60/1191514060.db2.gz QTIXMCIACGYWDE-MOPGFXCFSA-N 2 0 333.520 2.302 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCO1 ZINC001273286776 1197958368 /nfs/dbraw/zinc/95/83/68/1197958368.db2.gz XFBFENQMLWIAPC-QGZVFWFLSA-N 2 0 342.443 2.040 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000876757857 1199760171 /nfs/dbraw/zinc/76/01/71/1199760171.db2.gz IBHBNSVFYAWMGW-OAHLLOKOSA-N 2 0 325.840 2.426 10 30 EEEERP Cc1cccc(NC(=[NH2+])NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000134550940 1202318235 /nfs/dbraw/zinc/31/82/35/1202318235.db2.gz FUIXTIVEYMTPAS-UHFFFAOYSA-N 2 0 327.432 2.257 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CCC2)CC1 ZINC001037123392 1213912899 /nfs/dbraw/zinc/91/28/99/1213912899.db2.gz UUGSIURQFHXYKA-RBUKOAKNSA-N 2 0 331.504 2.006 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)s1 ZINC001490204098 1290997011 /nfs/dbraw/zinc/99/70/11/1290997011.db2.gz FBMYWMNYGGSCLD-KRWDZBQOSA-N 2 0 348.516 2.432 10 30 EEEERP O=C(C#CC1CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000852857477 1292217110 /nfs/dbraw/zinc/21/71/10/1292217110.db2.gz UNRUPEKPQLKJAG-UHFFFAOYSA-N 2 0 339.483 2.292 10 30 EEEERP CN1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000852886940 1292225474 /nfs/dbraw/zinc/22/54/74/1292225474.db2.gz ZZUMEGVNWIQBKE-IEBWSBKVSA-N 2 0 345.874 2.204 10 30 EEEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001276821262 1298785040 /nfs/dbraw/zinc/78/50/40/1298785040.db2.gz SGLKTQKEALLJME-APWZRJJASA-N 2 0 345.487 2.143 10 30 EEEERP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001277537441 1303851492 /nfs/dbraw/zinc/85/14/92/1303851492.db2.gz DJBKWGBMMKRGET-FPOVZHCZSA-N 2 0 339.483 2.237 10 30 EEEERP C=CCC[NH2+][C@H](CCNC(=O)[C@H]1CCn2c(C)ncc2C1)C(C)C ZINC001277587174 1303947305 /nfs/dbraw/zinc/94/73/05/1303947305.db2.gz LEFARJOXBXYRKZ-FUHWJXTLSA-N 2 0 332.492 2.451 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001277932545 1305159371 /nfs/dbraw/zinc/15/93/71/1305159371.db2.gz ILHIFJSDSWLYOE-GOSISDBHSA-N 2 0 347.890 2.224 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+][C@H](C)CCC=C)C2)CC1 ZINC001263880570 1322546183 /nfs/dbraw/zinc/54/61/83/1322546183.db2.gz SKGVRTVZPMXUNU-ZHALLVOQSA-N 2 0 331.504 2.171 10 30 EEEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001265303784 1323055274 /nfs/dbraw/zinc/05/52/74/1323055274.db2.gz PAWHGNDJIPAYER-AQNXPRMDSA-N 2 0 341.499 2.489 10 30 EEEERP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265396277 1323127095 /nfs/dbraw/zinc/12/70/95/1323127095.db2.gz AEGLTLJRHDTAFW-OALUTQOASA-N 2 0 333.520 2.443 10 30 EEEERP C[N@H+](CC#Cc1ccccc1)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001281969661 1325544553 /nfs/dbraw/zinc/54/45/53/1325544553.db2.gz WFYYETLNTANERO-HXUWFJFHSA-N 2 0 339.483 2.057 10 30 EEEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001491834642 1330268567 /nfs/dbraw/zinc/26/85/67/1330268567.db2.gz KUFGEQGULBNJJF-CRAIPNDOSA-N 2 0 325.472 2.213 10 30 EEEERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1F ZINC001492111010 1330479247 /nfs/dbraw/zinc/47/92/47/1330479247.db2.gz YMQQIZWGYWQPNY-GDBMZVCRSA-N 2 0 346.450 2.024 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001316727812 1331864300 /nfs/dbraw/zinc/86/43/00/1331864300.db2.gz OUZFPXARJYZQGI-ZIAGYGMSSA-N 2 0 335.414 2.131 10 30 EEEERP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001316956506 1332015332 /nfs/dbraw/zinc/01/53/32/1332015332.db2.gz QHPVRHUQQKMNPL-KRWDZBQOSA-N 2 0 339.443 2.428 10 30 EEEERP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(CC)CCO1 ZINC001317050122 1332060860 /nfs/dbraw/zinc/06/08/60/1332060860.db2.gz QVEBAKLWLVHBSA-OTWHNJEPSA-N 2 0 349.519 2.129 10 30 EEEERP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001319869476 1332789377 /nfs/dbraw/zinc/78/93/77/1332789377.db2.gz OITZDEYMEANSFV-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001320189379 1332846351 /nfs/dbraw/zinc/84/63/51/1332846351.db2.gz PLCXCAUBUFQHFP-WBVHZDCISA-N 2 0 331.460 2.243 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322032384 1333199476 /nfs/dbraw/zinc/19/94/76/1333199476.db2.gz GTGNPJWMUBLMIY-KRWDZBQOSA-N 2 0 345.462 2.003 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001322090115 1333207278 /nfs/dbraw/zinc/20/72/78/1333207278.db2.gz ZLNRFZLZONYJGX-INIZCTEOSA-N 2 0 331.504 2.006 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCCC(C)C)C2)CC1 ZINC001324673668 1333736987 /nfs/dbraw/zinc/73/69/87/1333736987.db2.gz NBDVAOBZJMGXJL-FQEVSTJZSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001324936968 1333791050 /nfs/dbraw/zinc/79/10/50/1333791050.db2.gz QWLWTZNJPRUJRT-GHTZIAJQSA-N 2 0 345.531 2.493 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001328734010 1334510561 /nfs/dbraw/zinc/51/05/61/1334510561.db2.gz URGLDPPYDLJOMS-OALUTQOASA-N 2 0 331.504 2.340 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001332458536 1335828510 /nfs/dbraw/zinc/82/85/10/1335828510.db2.gz HWSAISIGOAPRMZ-DZGCQCFKSA-N 2 0 347.425 2.273 10 30 EEEERP C=CC[N@@H+](C)CCN(CC)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001618813025 1352353728 /nfs/dbraw/zinc/35/37/28/1352353728.db2.gz BULCPZNZVIJYBS-KRWDZBQOSA-N 2 0 339.549 2.170 10 30 EEEERP C#CCN1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001560588124 1342514193 /nfs/dbraw/zinc/51/41/93/1342514193.db2.gz NAWKPZPZVSZPDS-HXUWFJFHSA-N 2 0 341.499 2.348 10 30 EEEERP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001566877893 1342646120 /nfs/dbraw/zinc/64/61/20/1342646120.db2.gz ILAITIKKSKBELH-CRAIPNDOSA-N 2 0 325.472 2.213 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CCCF)CC1 ZINC001569588299 1342904064 /nfs/dbraw/zinc/90/40/64/1342904064.db2.gz CRTDDLWPBUFTLG-IEBWSBKVSA-N 2 0 349.494 2.289 10 30 EEEERP C#CCC[NH+]1CCC(C)(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001569706518 1342927467 /nfs/dbraw/zinc/92/74/67/1342927467.db2.gz OIUXOGZMGQVIQJ-UHFFFAOYSA-N 2 0 333.520 2.348 10 30 EEEERP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001676454283 1357152524 /nfs/dbraw/zinc/15/25/24/1357152524.db2.gz DVELSMIZJSDSJY-MRXNPFEDSA-N 2 0 349.906 2.470 10 30 EEEERP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC001597684827 1349930092 /nfs/dbraw/zinc/93/00/92/1349930092.db2.gz XGXTUJPXXAQFBJ-QGZVFWFLSA-N 2 0 343.471 2.209 10 30 EEEERP C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC001628650079 1352539760 /nfs/dbraw/zinc/53/97/60/1352539760.db2.gz AMBZNGAZCKTGOH-UHFFFAOYSA-N 2 0 330.476 2.193 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CCCCC)CC1 ZINC001673136494 1354107042 /nfs/dbraw/zinc/10/70/42/1354107042.db2.gz WUXVVPGZYBRWQJ-LJQANCHMSA-N 2 0 333.520 2.493 10 30 EEEERP C[N@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001656136995 1354207022 /nfs/dbraw/zinc/20/70/22/1354207022.db2.gz GKCBUKDVALCBCH-KDURUIRLSA-N 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C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001667387999 1355729455 /nfs/dbraw/zinc/72/94/55/1355729455.db2.gz XOCXWPMRKOKWTG-ROUUACIJSA-N 2 0 333.520 2.348 10 30 EEEERP CCN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)CCC[NH+](C)C ZINC001668538112 1355958945 /nfs/dbraw/zinc/95/89/45/1355958945.db2.gz NBHLOXPLTJRCPP-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001671491724 1356348994 /nfs/dbraw/zinc/34/89/94/1356348994.db2.gz ICEQAPDNQCTLQL-INIZCTEOSA-N 2 0 337.483 2.003 10 30 EEEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCC1 ZINC001671569728 1356364444 /nfs/dbraw/zinc/36/44/44/1356364444.db2.gz MLVYENMTOYGFSV-RTBURBONSA-N 2 0 333.520 2.395 10 30 EEEERP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001675185110 1356943104 /nfs/dbraw/zinc/94/31/04/1356943104.db2.gz IUNZDEAYWVDADV-QZTJIDSGSA-N 2 0 331.504 2.435 10 30 EEEERP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857716 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XCKFAHGHUKVEBY-UHFFFAOYSA-N 2 0 339.483 2.105 10 30 EEEERP CC[N@@H+](CC#Cc1ccccc1)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001479847124 1099140931 /nfs/dbraw/zinc/14/09/31/1099140931.db2.gz XGYOGMQIVQGVHZ-FQEVSTJZSA-N 2 0 343.515 2.453 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001480085532 1099638584 /nfs/dbraw/zinc/63/85/84/1099638584.db2.gz QPZWCKJBNCSLCT-MOPGFXCFSA-N 2 0 333.520 2.443 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001480209385 1099818239 /nfs/dbraw/zinc/81/82/39/1099818239.db2.gz UEKXUJDPSDIHOF-OTWHNJEPSA-N 2 0 345.462 2.000 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001480369225 1100146055 /nfs/dbraw/zinc/14/60/55/1100146055.db2.gz IWVZOISIFFPTNC-INIZCTEOSA-N 2 0 331.460 2.339 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001496081023 1102023429 /nfs/dbraw/zinc/02/34/29/1102023429.db2.gz KHZUKUPQFXZDHI-LPHOPBHVSA-N 2 0 342.487 2.369 10 30 EEEERP C[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001498368696 1107402230 /nfs/dbraw/zinc/40/22/30/1107402230.db2.gz WCCXVNUDBQWEGC-BXWFABGCSA-N 2 0 342.487 2.225 10 30 EEEERP CCC#C[C@@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001473295797 1110574014 /nfs/dbraw/zinc/57/40/14/1110574014.db2.gz FEONTMNPDCQDQQ-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001479416379 1110694002 /nfs/dbraw/zinc/69/40/02/1110694002.db2.gz HGWXQDKUMPYGOF-PPUGGXLSSA-N 2 0 346.450 2.022 10 30 EEEERP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001500018899 1112581211 /nfs/dbraw/zinc/58/12/11/1112581211.db2.gz QZXXUKNCWGLXPK-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]C/C=C/Cl)CC1 ZINC001505850088 1114232443 /nfs/dbraw/zinc/23/24/43/1114232443.db2.gz KNWGXWPUOOIGIT-RMKNXTFCSA-N 2 0 339.911 2.158 10 30 EEEERP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1ccccc1 ZINC001507389864 1115247260 /nfs/dbraw/zinc/24/72/60/1115247260.db2.gz PPORDAJPJZODNA-WOJBJXKFSA-N 2 0 341.499 2.200 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)c(F)c1 ZINC001508243712 1115459051 /nfs/dbraw/zinc/45/90/51/1115459051.db2.gz XSQVYOKQMPAJIP-IBGZPJMESA-N 2 0 345.462 2.429 10 30 EEEERP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@H]21 ZINC001568513428 1124573849 /nfs/dbraw/zinc/57/38/49/1124573849.db2.gz LFLNOEMFPRBWGL-RTBURBONSA-N 2 0 345.531 2.445 10 30 EEEERP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001568516355 1124580884 /nfs/dbraw/zinc/58/08/84/1124580884.db2.gz WHOXTYWYMMHZOI-RBUKOAKNSA-N 2 0 331.504 2.199 10 30 EEEERP COC[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452110456 467325767 /nfs/dbraw/zinc/32/57/67/467325767.db2.gz ZDGHQABPVXFFAR-WOJBJXKFSA-N 2 0 336.520 2.487 10 30 EEEERP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C(C)(C)C ZINC000600723367 468636292 /nfs/dbraw/zinc/63/62/92/468636292.db2.gz LIBFEHCGAJSYTK-CVEARBPZSA-N 2 0 325.497 2.014 10 30 EEEERP Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000596708894 469340554 /nfs/dbraw/zinc/34/05/54/469340554.db2.gz PXHNERPKICZMJS-HNNXBMFYSA-N 2 0 331.464 2.260 10 30 EEEERP CN1CCC(C/N=C/c2cccc(O)c2O)([NH+]2CCCCC2)CC1 ZINC000741843178 578125137 /nfs/dbraw/zinc/12/51/37/578125137.db2.gz JSUKAZIPPPSEGW-XSFVSMFZSA-N 2 0 331.460 2.467 10 30 EEEERP CC[NH+]=C(NC[C@H]1CCC[N@@H+]1CC(C)C)N1CC[C@@]2(CCOC2)C1 ZINC000158084824 678175682 /nfs/dbraw/zinc/17/56/82/678175682.db2.gz LHPGEKQSGMMPGW-IEBWSBKVSA-N 2 0 336.524 2.185 10 30 EEEERP CC[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262474587 686267225 /nfs/dbraw/zinc/26/72/25/686267225.db2.gz PTWUMKWYIROXCA-INIZCTEOSA-N 2 0 346.523 2.049 10 30 EEEERP C#CC[NH2+]CCC[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001485780019 1191948712 /nfs/dbraw/zinc/94/87/12/1191948712.db2.gz PYKLSVJTIZKGDU-PKOBYXMFSA-N 2 0 327.472 2.189 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC001266352574 1176377772 /nfs/dbraw/zinc/37/77/72/1176377772.db2.gz DJXXDTAEYIURNT-GOSISDBHSA-N 2 0 347.890 2.224 10 30 EEEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001691367599 1177972992 /nfs/dbraw/zinc/97/29/92/1177972992.db2.gz RWIALKYMDJODOD-QRVBRYPASA-N 2 0 333.520 2.348 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2ccnc2)CC[C@@H]1C(F)(F)F ZINC001691445872 1178830760 /nfs/dbraw/zinc/83/07/60/1178830760.db2.gz MRIDMVWNSUCFRD-KBPBESRZSA-N 2 0 344.381 2.076 10 30 EEEERP C=CCOCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001268171022 1181936888 /nfs/dbraw/zinc/93/68/88/1181936888.db2.gz KSNXRBNBINFNTP-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268366306 1182341525 /nfs/dbraw/zinc/34/15/25/1182341525.db2.gz MMXZXOZJNCUDLS-PMUMKWKESA-N 2 0 346.450 2.022 10 30 EEEERP CC#CC[NH2+]C[C@](C)(NC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001481940363 1182997819 /nfs/dbraw/zinc/99/78/19/1182997819.db2.gz RWDQHYLFARRCLQ-IBGZPJMESA-N 2 0 333.520 2.396 10 30 EEEERP CC#CC[NH2+]C[C@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@@H]1C ZINC001481963124 1183037557 /nfs/dbraw/zinc/03/75/57/1183037557.db2.gz SRUWKURMFSISFV-AZUAARDMSA-N 2 0 333.520 2.396 10 30 EEEERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001268716494 1183636291 /nfs/dbraw/zinc/63/62/91/1183636291.db2.gz FDDXAJIDJARSCH-AZUAARDMSA-N 2 0 341.499 2.253 10 30 EEEERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001268920233 1183817172 /nfs/dbraw/zinc/81/71/72/1183817172.db2.gz LLJOPOBOJXUPGS-GOSISDBHSA-N 2 0 348.466 2.222 10 30 EEEERP CN(CCC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268945489 1183836129 /nfs/dbraw/zinc/83/61/29/1183836129.db2.gz DTSZASBAIJWXTK-KRWDZBQOSA-N 2 0 347.890 2.081 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC3CCCCC3)CC2)CC1 ZINC001269544311 1184368354 /nfs/dbraw/zinc/36/83/54/1184368354.db2.gz APGAHJVPHFGJCX-UHFFFAOYSA-N 2 0 331.504 2.150 10 30 EEEERP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001270042491 1184808173 /nfs/dbraw/zinc/80/81/73/1184808173.db2.gz QFGSIRNHCWJICF-BRSBDYLESA-N 2 0 337.508 2.079 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001270701628 1185328167 /nfs/dbraw/zinc/32/81/67/1185328167.db2.gz WIKQWTJFDFEBEP-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001271424352 1186209706 /nfs/dbraw/zinc/20/97/06/1186209706.db2.gz CZLXSAXCBVOMDG-UYAOXDASSA-N 2 0 341.499 2.011 10 30 EEEERP CC[C@H](C(=O)N(C)CCN(C)CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001482643236 1187474427 /nfs/dbraw/zinc/47/44/27/1187474427.db2.gz JZGULJABLGFNEQ-GOSISDBHSA-N 2 0 349.906 2.422 10 30 EEEERP C#CC[N@H+]1CCc2c(CNC(=O)CCCC[NH+](C)C)cccc2C1 ZINC001272917392 1193603348 /nfs/dbraw/zinc/60/33/48/1193603348.db2.gz WIUOOEUWWSFSAH-UHFFFAOYSA-N 2 0 327.472 2.026 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC001483914821 1191114729 /nfs/dbraw/zinc/11/47/29/1191114729.db2.gz RMTCKNHEJVQHDS-LPHOPBHVSA-N 2 0 342.487 2.368 10 30 EEEERP C#CCN(C(=O)CC[N@@H+](C)CCC)C1CC[NH+](CC2CCC2)CC1 ZINC001483988932 1191144240 /nfs/dbraw/zinc/14/42/40/1191144240.db2.gz QZXAVKADUWWJQA-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP C=CCCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCOCC1 ZINC001484185513 1191263975 /nfs/dbraw/zinc/26/39/75/1191263975.db2.gz OBLDOFCSVOIPKH-UHFFFAOYSA-N 2 0 349.519 2.084 10 30 EEEERP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001484371737 1191319636 /nfs/dbraw/zinc/31/96/36/1191319636.db2.gz LZNUSEHWIAXBST-SJORKVTESA-N 2 0 333.520 2.347 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001484519822 1191394196 /nfs/dbraw/zinc/39/41/96/1191394196.db2.gz BFZPBIRVWOKMQW-JKSUJKDBSA-N 2 0 327.900 2.440 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001484769064 1191522725 /nfs/dbraw/zinc/52/27/25/1191522725.db2.gz LXGZIQPSJFMTJC-UHFFFAOYSA-N 2 0 341.499 2.312 10 30 EEEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCOCC1 ZINC001484862818 1191554590 /nfs/dbraw/zinc/55/45/90/1191554590.db2.gz RNQXIIKLVIIEFK-KRWDZBQOSA-N 2 0 337.508 2.080 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001410380780 1197776709 /nfs/dbraw/zinc/77/67/09/1197776709.db2.gz MGPOAXPMOOZRPA-KGLIPLIRSA-N 2 0 346.313 2.206 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876762246 1199761173 /nfs/dbraw/zinc/76/11/73/1199761173.db2.gz CXZFFRWSPSSOOV-DLBZAZTESA-N 2 0 335.879 2.437 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000876768194 1199765894 /nfs/dbraw/zinc/76/58/94/1199765894.db2.gz SLXAIROEAIZKCE-ZDUSSCGKSA-N 2 0 325.840 2.344 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877225123 1199883789 /nfs/dbraw/zinc/88/37/89/1199883789.db2.gz RZHMXMUWYJJIMU-MRXNPFEDSA-N 2 0 335.879 2.236 10 30 EEEERP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001275279555 1205297373 /nfs/dbraw/zinc/29/73/73/1205297373.db2.gz XNKCRHHETDQSJV-FAFZWHIHSA-N 2 0 331.504 2.291 10 30 EEEERP C=CC[NH2+]CCCOC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001276176821 1205815640 /nfs/dbraw/zinc/81/56/40/1205815640.db2.gz YYILPIXTYXOTIK-IRXDYDNUSA-N 2 0 337.508 2.033 10 30 EEEERP C[C@H](CCNC(=O)C#CC1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000852872322 1292222469 /nfs/dbraw/zinc/22/24/69/1292222469.db2.gz LMTBLJKXLWEXHH-QGZVFWFLSA-N 2 0 327.472 2.016 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001277299339 1302259627 /nfs/dbraw/zinc/25/96/27/1302259627.db2.gz QIHGMOWZKQTIFK-SJORKVTESA-N 2 0 342.487 2.275 10 30 EEEERP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC001277496084 1303680055 /nfs/dbraw/zinc/68/00/55/1303680055.db2.gz MJGIEKRMALVXKW-UHFFFAOYSA-N 2 0 333.520 2.302 10 30 EEEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001278503351 1310877906 /nfs/dbraw/zinc/87/79/06/1310877906.db2.gz BJOVCHPPFRBCRU-QUCCMNQESA-N 2 0 331.504 2.245 10 30 EEEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001278549581 1317209617 /nfs/dbraw/zinc/20/96/17/1317209617.db2.gz BNEIKIZKNIHSES-NRFANRHFSA-N 2 0 341.499 2.012 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001278587428 1317283035 /nfs/dbraw/zinc/28/30/35/1317283035.db2.gz ZLEICXAQPMXIGD-UXHICEINSA-N 2 0 341.499 2.254 10 30 EEEERP C=CCOCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001265292097 1323042631 /nfs/dbraw/zinc/04/26/31/1323042631.db2.gz GGDVHSBDHKOMPA-INIZCTEOSA-N 2 0 337.508 2.033 10 30 EEEERP CC(C)[C@H](C(=O)NCCC[N@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001265919608 1323485867 /nfs/dbraw/zinc/48/58/67/1323485867.db2.gz QXOIGGBIZWKTRI-LJQANCHMSA-N 2 0 347.478 2.202 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#Cc2ccccc2)[C@@H](C)C1 ZINC001281682677 1325399625 /nfs/dbraw/zinc/39/96/25/1325399625.db2.gz LMCRWHVWYGOZCS-AZUAARDMSA-N 2 0 341.499 2.347 10 30 EEEERP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001281957020 1325535621 /nfs/dbraw/zinc/53/56/21/1325535621.db2.gz OLXYRERBOZLIBQ-IBGZPJMESA-N 2 0 329.488 2.270 10 30 EEEERP C[N@H+](CC(=O)NC1CC(C[NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001282014907 1325571002 /nfs/dbraw/zinc/57/10/02/1325571002.db2.gz ORGAUJLOJHAAQD-UHFFFAOYSA-N 2 0 339.483 2.007 10 30 EEEERP C#CC[NH2+][C@H](CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001282567151 1325742056 /nfs/dbraw/zinc/74/20/56/1325742056.db2.gz GYBNHISTUUTLOE-APWZRJJASA-N 2 0 339.499 2.295 10 30 EEEERP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001282819761 1325796945 /nfs/dbraw/zinc/79/69/45/1325796945.db2.gz GHQVQJVBPFLKJG-LJQANCHMSA-N 2 0 341.499 2.011 10 30 EEEERP C=CCCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001283002004 1325876172 /nfs/dbraw/zinc/87/61/72/1325876172.db2.gz AHZVOMJBWNOROJ-ZWKOTPCHSA-N 2 0 349.519 2.034 10 30 EEEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccccn1 ZINC001297380425 1329966619 /nfs/dbraw/zinc/96/66/19/1329966619.db2.gz YNWUWSPJACKOKK-SFHVURJKSA-N 2 0 330.476 2.012 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001491884574 1330288859 /nfs/dbraw/zinc/28/88/59/1330288859.db2.gz CGSZIRBQXKPHPR-IRXDYDNUSA-N 2 0 346.450 2.166 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC(=C)Cl ZINC001492155819 1331019090 /nfs/dbraw/zinc/01/90/90/1331019090.db2.gz DDBTWWRQUMCEMH-IRXDYDNUSA-N 2 0 337.895 2.197 10 30 EEEERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001317124272 1332087802 /nfs/dbraw/zinc/08/78/02/1332087802.db2.gz GFWCPYAMOACSPP-HDICACEKSA-N 2 0 328.460 2.027 10 30 EEEERP C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001317201157 1332129464 /nfs/dbraw/zinc/12/94/64/1332129464.db2.gz ZBIVNCURDDJXGC-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCCC1 ZINC001319362762 1332690762 /nfs/dbraw/zinc/69/07/62/1332690762.db2.gz YAZDDXHOVWSIEA-KRWDZBQOSA-N 2 0 345.512 2.364 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](CCCC=C)C3)CC2)CC1 ZINC001319412460 1332697648 /nfs/dbraw/zinc/69/76/48/1332697648.db2.gz PQVNSOYDBIGWJM-UHFFFAOYSA-N 2 0 343.515 2.222 10 30 EEEERP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001323736061 1333528079 /nfs/dbraw/zinc/52/80/79/1333528079.db2.gz IYWWFOPTGOPZRJ-UHFFFAOYSA-N 2 0 331.504 2.361 10 30 EEEERP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C2 ZINC001325641956 1333930684 /nfs/dbraw/zinc/93/06/84/1333930684.db2.gz BJZJBWXISAADBI-REPLKXPHSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001325656340 1333934287 /nfs/dbraw/zinc/93/42/87/1333934287.db2.gz NYPZSOJTBNIWNI-CADBVGFASA-N 2 0 331.504 2.149 10 30 EEEERP C#CCC[N@@H+](C)C1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001331054479 1334954148 /nfs/dbraw/zinc/95/41/48/1334954148.db2.gz RTYURONOHSYEHN-IBGZPJMESA-N 2 0 337.483 2.145 10 30 EEEERP C[C@@H]1C[NH+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)N1CC#N ZINC001332021812 1335707463 /nfs/dbraw/zinc/70/74/63/1335707463.db2.gz PTUIKXIBZCOKOG-IAGOWNOFSA-N 2 0 330.476 2.045 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C(F)(F)F ZINC001332460971 1335829334 /nfs/dbraw/zinc/82/93/34/1335829334.db2.gz WBCOFYWRXKJWGN-KGLIPLIRSA-N 2 0 347.425 2.131 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001479815469 1337394653 /nfs/dbraw/zinc/39/46/53/1337394653.db2.gz HXAVPQLIQLPDCW-IAGOWNOFSA-N 2 0 342.487 2.369 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1F ZINC001567611955 1342794059 /nfs/dbraw/zinc/79/40/59/1342794059.db2.gz ZXCZTHJUKRNIQY-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CCC2)C2CCCC2)CC1 ZINC001569613159 1342908539 /nfs/dbraw/zinc/90/85/39/1342908539.db2.gz BLCBVRTVWVOAIZ-FQEVSTJZSA-N 2 0 345.531 2.396 10 30 EEEERP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001569621792 1342910918 /nfs/dbraw/zinc/91/09/18/1342910918.db2.gz ITMBNCDMXMHRQU-ICSRJNTNSA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC001571462744 1343213253 /nfs/dbraw/zinc/21/32/53/1343213253.db2.gz JJNPAGNXYHZUAB-VQIMIIECSA-N 2 0 327.472 2.007 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001571462743 1343213354 /nfs/dbraw/zinc/21/33/54/1343213354.db2.gz JJNPAGNXYHZUAB-QFBILLFUSA-N 2 0 327.472 2.007 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(CC)CC)[C@H]2C)CC1 ZINC001676693776 1357182023 /nfs/dbraw/zinc/18/20/23/1357182023.db2.gz NUVRUKQMBXUGIB-VQIMIIECSA-N 2 0 333.520 2.347 10 30 EEEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C(C)(C)C ZINC001677262680 1357303160 /nfs/dbraw/zinc/30/31/60/1357303160.db2.gz BLUPPRGPKFUVPM-MRXNPFEDSA-N 2 0 339.524 2.041 10 30 EEEERP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001677364238 1357321183 /nfs/dbraw/zinc/32/11/83/1357321183.db2.gz YAXNAMVDMCXLFD-ROUUACIJSA-N 2 0 333.520 2.491 10 30 EEEERP C=CCOCC[NH2+]C1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001677406878 1357328440 /nfs/dbraw/zinc/32/84/40/1357328440.db2.gz FJODSWSXSYHEDJ-UHFFFAOYSA-N 2 0 342.443 2.038 10 30 EEEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001624191106 1352416266 /nfs/dbraw/zinc/41/62/66/1352416266.db2.gz BAQASWHSBPOIQX-IBGZPJMESA-N 2 0 345.487 2.456 10 30 EEEERP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001656847771 1354283926 /nfs/dbraw/zinc/28/39/26/1354283926.db2.gz QCEWOIZSQKXNHB-QYZOEREBSA-N 2 0 333.520 2.465 10 30 EEEERP C=CC[C@H](CO)[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001659028202 1354371971 /nfs/dbraw/zinc/37/19/71/1354371971.db2.gz FZYJHKJHINITPT-GOSISDBHSA-N 2 0 347.459 2.376 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001674429277 1356830581 /nfs/dbraw/zinc/83/05/81/1356830581.db2.gz CSZCYOSSCOQWPZ-BHIYHBOVSA-N 2 0 327.472 2.276 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001674499956 1356848728 /nfs/dbraw/zinc/84/87/28/1356848728.db2.gz SVXUIAHYQIIJME-IBGZPJMESA-N 2 0 327.472 2.308 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(C#N)s1 ZINC001698917191 1405160063 /nfs/dbraw/zinc/16/00/63/1405160063.db2.gz HLXSOGAMKRRXSN-HNNXBMFYSA-N 2 0 348.516 2.432 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699368072 1405343841 /nfs/dbraw/zinc/34/38/41/1405343841.db2.gz YUAQLQXVNGUUTH-CRAIPNDOSA-N 2 0 347.890 2.270 10 30 EEEERP CC[NH+]=C(NCC1(O)CCCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000085168590 792369436 /nfs/dbraw/zinc/36/94/36/792369436.db2.gz IJOAYRCIKBATJR-ALOPSCKCSA-N 2 0 336.524 2.252 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000913913674 794549419 /nfs/dbraw/zinc/54/94/19/794549419.db2.gz BLAOHRUSSBIUDP-UHFFFAOYSA-N 2 0 334.508 2.038 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccccc1C#N ZINC001566519889 1125692047 /nfs/dbraw/zinc/69/20/47/1125692047.db2.gz JHKOLSJZPACKFA-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001439251447 1091901616 /nfs/dbraw/zinc/90/16/16/1091901616.db2.gz GTHCJLAZODKEME-UAGQMJEPSA-N 2 0 335.879 2.179 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001439622581 1092534584 /nfs/dbraw/zinc/53/45/84/1092534584.db2.gz ROWSOADBGRAGJM-CQSZACIVSA-N 2 0 346.500 2.233 10 30 EEEERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001440492115 1093729533 /nfs/dbraw/zinc/72/95/33/1093729533.db2.gz XXVWZFRIUVMZIG-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001449407152 1094388200 /nfs/dbraw/zinc/38/82/00/1094388200.db2.gz VGTHCDSJEURYDJ-UHFFFAOYSA-N 2 0 346.450 2.117 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001441936431 1096129767 /nfs/dbraw/zinc/12/97/67/1096129767.db2.gz KRWMGEIZYYVPED-KGLIPLIRSA-N 2 0 346.313 2.111 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001442297386 1096613190 /nfs/dbraw/zinc/61/31/90/1096613190.db2.gz SYFQPZQCKBWGES-CZUORRHYSA-N 2 0 333.879 2.436 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]CCCF)CC1 ZINC001479835889 1099119544 /nfs/dbraw/zinc/11/95/44/1099119544.db2.gz YOGLENOISFRHLI-SJLPKXTDSA-N 2 0 337.483 2.050 10 30 EEEERP C=C(Br)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001444660722 1099498642 /nfs/dbraw/zinc/49/86/42/1099498642.db2.gz XUDGCLIFTXYITC-ZDUSSCGKSA-N 2 0 346.313 2.206 10 30 EEEERP CC#CC[NH2+]CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001495204580 1100884493 /nfs/dbraw/zinc/88/44/93/1100884493.db2.gz XUKNBWBLCBFNPF-UHFFFAOYSA-N 2 0 331.504 2.150 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001495280522 1100978002 /nfs/dbraw/zinc/97/80/02/1100978002.db2.gz PHOALHDXCIXRHG-OAQYLSRUSA-N 2 0 341.499 2.254 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001497334037 1102341372 /nfs/dbraw/zinc/34/13/72/1102341372.db2.gz WIIVAIDWJVUKBV-CQSZACIVSA-N 2 0 334.439 2.022 10 30 EEEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001497480852 1102557000 /nfs/dbraw/zinc/55/70/00/1102557000.db2.gz BOPQVURPGDTCAR-UHFFFAOYSA-N 2 0 327.900 2.299 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCC=C)C2)CC1 ZINC001480709755 1106931589 /nfs/dbraw/zinc/93/15/89/1106931589.db2.gz MUORRGFECTVZHE-MOPGFXCFSA-N 2 0 331.504 2.315 10 30 EEEERP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001480714324 1106942233 /nfs/dbraw/zinc/94/22/33/1106942233.db2.gz GHAHTRMQKIGWHX-IBGZPJMESA-N 2 0 329.488 2.044 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC#Cc2ccc(Cl)cc2)CC1 ZINC001499310338 1112228040 /nfs/dbraw/zinc/22/80/40/1112228040.db2.gz KTAWVXXJTQAZTE-QGZVFWFLSA-N 2 0 345.874 2.024 10 30 EEEERP C#CC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001499606651 1112406174 /nfs/dbraw/zinc/40/61/74/1112406174.db2.gz REZSQMROACUKIP-HXUWFJFHSA-N 2 0 331.504 2.199 10 30 EEEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC(CC)CC)CC1 ZINC001500057315 1112596431 /nfs/dbraw/zinc/59/64/31/1112596431.db2.gz IAVAMAXCMAGLOZ-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001502404832 1113670332 /nfs/dbraw/zinc/67/03/32/1113670332.db2.gz NXHREIUFQVNNHR-RBUKOAKNSA-N 2 0 333.520 2.302 10 30 EEEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001507024131 1115061696 /nfs/dbraw/zinc/06/16/96/1115061696.db2.gz HEEHOPLVCDEJNI-INIZCTEOSA-N 2 0 333.501 2.273 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)c(F)c1 ZINC001508243715 1115459033 /nfs/dbraw/zinc/45/90/33/1115459033.db2.gz XSQVYOKQMPAJIP-LJQANCHMSA-N 2 0 345.462 2.429 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001568220032 1124364054 /nfs/dbraw/zinc/36/40/54/1124364054.db2.gz IHEVUZLGSGTWDB-RBUKOAKNSA-N 2 0 349.519 2.177 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001568700106 1124715279 /nfs/dbraw/zinc/71/52/79/1124715279.db2.gz KNNILYGCSZPVFR-INIZCTEOSA-N 2 0 333.451 2.003 10 30 EEEERP C=C(Br)C[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001568970100 1125008272 /nfs/dbraw/zinc/00/82/72/1125008272.db2.gz SLLFVFZTDPZBGX-TWRSITDPSA-N 2 0 344.297 2.030 10 30 EEEERP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001569170128 1125142876 /nfs/dbraw/zinc/14/28/76/1125142876.db2.gz RCPAXNLYLGLKRV-PMACEKPBSA-N 2 0 341.499 2.059 10 30 EEEERP OCC[C@H]1CCCCC[NH+]1CC#CC[N@H+]1CCCCC[C@@H]1CCO ZINC000342055044 539831352 /nfs/dbraw/zinc/83/13/52/539831352.db2.gz YEPOSCIYXGKHRD-WOJBJXKFSA-N 2 0 336.520 2.244 10 30 EEEERP CN(Cc1ccc(C#N)o1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190315119 160158088 /nfs/dbraw/zinc/15/80/88/160158088.db2.gz SVOMRPJXLNYENX-LJQANCHMSA-N 2 0 325.412 2.220 10 30 EEEERP CCO[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000451549514 276338546 /nfs/dbraw/zinc/33/85/46/276338546.db2.gz WBYJLCPTWZPWFR-LWYYNNOASA-N 2 0 336.520 2.484 10 30 EEEERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)C(=O)NCC[NH+](C)C ZINC000358455260 465133234 /nfs/dbraw/zinc/13/32/34/465133234.db2.gz XMEPYTYXYYYEIQ-KSSFIOAISA-N 2 0 348.466 2.440 10 30 EEEERP C[C@]1(CCCO)CCC[NH+]1CC#CC[N@H+]1CCC[C@]1(C)CCCO ZINC000341908480 465273409 /nfs/dbraw/zinc/27/34/09/465273409.db2.gz DOPLFDNFLZKFQY-WOJBJXKFSA-N 2 0 336.520 2.244 10 30 EEEERP COC[C@@H]1CCCC[NH+](CC#CC[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000366959275 466041878 /nfs/dbraw/zinc/04/18/78/466041878.db2.gz DGQLZFSVNOWGHS-BGYRXZFFSA-N 2 0 336.520 2.487 10 30 EEEERP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1F ZINC000423372944 466731458 /nfs/dbraw/zinc/73/14/58/466731458.db2.gz BRDGOTOTSDNOOG-ABAIWWIYSA-N 2 0 344.356 2.184 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527768968 467665193 /nfs/dbraw/zinc/66/51/93/467665193.db2.gz URGXEYFDHHDLRA-SFHVURJKSA-N 2 0 334.508 2.343 10 30 EEEERP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600718509 468633068 /nfs/dbraw/zinc/63/30/68/468633068.db2.gz XWUDDPLXQBWART-ZWKOTPCHSA-N 2 0 337.508 2.302 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602574570 469367420 /nfs/dbraw/zinc/36/74/20/469367420.db2.gz BNTQLUAGQDRSEG-QZTJIDSGSA-N 2 0 328.460 2.036 10 30 EEEERP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CCC[NH2+]1 ZINC000639001374 470353683 /nfs/dbraw/zinc/35/36/83/470353683.db2.gz KDLYQYYPRCLYJT-QUCCMNQESA-N 2 0 327.472 2.384 10 30 EEEERP C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000638799704 471224115 /nfs/dbraw/zinc/22/41/15/471224115.db2.gz FSMOIRFUEXXNHV-ICSRJNTNSA-N 2 0 327.472 2.323 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)C(C)C ZINC000662682782 472203891 /nfs/dbraw/zinc/20/38/91/472203891.db2.gz VALDIITUJDOHLH-CQSZACIVSA-N 2 0 334.464 2.297 10 30 EEEERP C=CC[C@]1(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662748421 472234414 /nfs/dbraw/zinc/23/44/14/472234414.db2.gz TVORXXXJYANYRX-XKGZKEIXSA-N 2 0 327.472 2.464 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(CC)cc2)CC1 ZINC001772517040 1176568584 /nfs/dbraw/zinc/56/85/84/1176568584.db2.gz JEUGUZRBCKIGNB-QGZVFWFLSA-N 2 0 341.499 2.189 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)CC[NH+]1CCCCC1 ZINC001267117354 1178281306 /nfs/dbraw/zinc/28/13/06/1178281306.db2.gz REANMKUOXXUIMO-UHFFFAOYSA-N 2 0 346.450 2.121 10 30 EEEERP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750947514 1178621889 /nfs/dbraw/zinc/62/18/89/1178621889.db2.gz YXLBEMQBGNIHNO-HZPDHXFCSA-N 2 0 327.488 2.459 10 30 EEEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001481518726 1181629836 /nfs/dbraw/zinc/62/98/36/1181629836.db2.gz FVVCSKILUFMYIF-SFHVURJKSA-N 2 0 333.520 2.445 10 30 EEEERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ccc(C#N)s1 ZINC001481880828 1182863258 /nfs/dbraw/zinc/86/32/58/1182863258.db2.gz HQYWINGWXMPXBG-RHSMWYFYSA-N 2 0 348.516 2.479 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001268543575 1183216159 /nfs/dbraw/zinc/21/61/59/1183216159.db2.gz WLBZANQXEWJARH-RTLBZRNLSA-N 2 0 340.471 2.193 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCCC(C)C)CC1 ZINC001270194452 1184912645 /nfs/dbraw/zinc/91/26/45/1184912645.db2.gz SOIHOQLKBWIEKR-LJQANCHMSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001270295501 1184993925 /nfs/dbraw/zinc/99/39/25/1184993925.db2.gz ATEYGGHHUXVEHH-FAFZWHIHSA-N 2 0 331.504 2.053 10 30 EEEERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001270371235 1185053915 /nfs/dbraw/zinc/05/39/15/1185053915.db2.gz FMMLQJWRRDRZNM-MAUKXSAKSA-N 2 0 347.890 2.128 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001482370220 1185535625 /nfs/dbraw/zinc/53/56/25/1185535625.db2.gz TUANJMPCBPEDLB-LPHOPBHVSA-N 2 0 342.487 2.369 10 30 EEEERP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001271101888 1185888595 /nfs/dbraw/zinc/88/85/95/1185888595.db2.gz WFBDMIQFRHOBCW-HNNXBMFYSA-N 2 0 343.462 2.061 10 30 EEEERP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001482458193 1185906865 /nfs/dbraw/zinc/90/68/65/1185906865.db2.gz APMXOZHNMSHTDK-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP CC#CC[NH+]1CCC(C)(NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001483971483 1191131710 /nfs/dbraw/zinc/13/17/10/1191131710.db2.gz STRYBTAKCYFKEW-UHFFFAOYSA-N 2 0 341.499 2.155 10 30 EEEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001272690607 1191547113 /nfs/dbraw/zinc/54/71/13/1191547113.db2.gz BVIQSIRGJUKQIR-FRQCXROJSA-N 2 0 327.472 2.317 10 30 EEEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001485102947 1191652424 /nfs/dbraw/zinc/65/24/24/1191652424.db2.gz YCJDBNSJUKCYLY-JMLCCBQJSA-N 2 0 325.472 2.259 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001485230187 1191699218 /nfs/dbraw/zinc/69/92/18/1191699218.db2.gz QSJOQWUKCIKAJI-KGLIPLIRSA-N 2 0 334.439 2.020 10 30 EEEERP CC[C@H](C(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001274507005 1205060942 /nfs/dbraw/zinc/06/09/42/1205060942.db2.gz BYAJTFAQLZMIMD-JTHGQSKGSA-N 2 0 347.890 2.294 10 30 EEEERP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852886959 1292225556 /nfs/dbraw/zinc/22/55/56/1292225556.db2.gz ALBVFIYXEGECHY-YLJYHZDGSA-N 2 0 339.483 2.016 10 30 EEEERP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001277294271 1302231445 /nfs/dbraw/zinc/23/14/45/1302231445.db2.gz JNZXNRIZIUNGSY-OALUTQOASA-N 2 0 331.504 2.199 10 30 EEEERP C#CCN(C(=O)[C@@H](C)Cc1c[nH]cn1)C1CC[NH+](CCC=C)CC1 ZINC001278188463 1306224410 /nfs/dbraw/zinc/22/44/10/1306224410.db2.gz QGXRPTSSVFOBBR-INIZCTEOSA-N 2 0 328.460 2.091 10 30 EEEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001278550772 1317216889 /nfs/dbraw/zinc/21/68/89/1317216889.db2.gz ZBQIUOOONIKKCY-MSOLQXFVSA-N 2 0 325.472 2.213 10 30 EEEERP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1(C)C ZINC001278656210 1317569902 /nfs/dbraw/zinc/56/99/02/1317569902.db2.gz IZCBANAFQBLVGQ-GOSISDBHSA-N 2 0 333.520 2.491 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001264164993 1322645978 /nfs/dbraw/zinc/64/59/78/1322645978.db2.gz VHALKQCPWDCEBG-APWZRJJASA-N 2 0 345.487 2.143 10 30 EEEERP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001266081660 1323638637 /nfs/dbraw/zinc/63/86/37/1323638637.db2.gz PUWXMLMQRMBGJC-KRWDZBQOSA-N 2 0 335.879 2.282 10 30 EEEERP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC001266219987 1323790339 /nfs/dbraw/zinc/79/03/39/1323790339.db2.gz MBNCYRCXZSVFKS-INIZCTEOSA-N 2 0 333.501 2.417 10 30 EEEERP CC[C@@H](C(=O)N[C@H](C)CCC[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001283239848 1325967140 /nfs/dbraw/zinc/96/71/40/1325967140.db2.gz POZCRWPUKCRFBO-APWZRJJASA-N 2 0 347.478 2.392 10 30 EEEERP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001491618607 1330186118 /nfs/dbraw/zinc/18/61/18/1330186118.db2.gz QKWNIVWJMYLTQI-KRWDZBQOSA-N 2 0 345.462 2.003 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC/C=C/CC)[C@@H]2C)CC1 ZINC001316799851 1331899112 /nfs/dbraw/zinc/89/91/12/1331899112.db2.gz KYOGRZUBSLXWNO-JISXSJDESA-N 2 0 331.504 2.267 10 30 EEEERP N#Cc1cccc(C[N@@H+](CCCNC(=O)C[NH+]2CCCC2)C2CC2)c1 ZINC001316927115 1331994594 /nfs/dbraw/zinc/99/45/94/1331994594.db2.gz QXXOWZXDSCSVPE-UHFFFAOYSA-N 2 0 340.471 2.125 10 30 EEEERP C[C@@H](CNC(=O)CCCC[NH+](C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001317284846 1332164662 /nfs/dbraw/zinc/16/46/62/1332164662.db2.gz YJQZNMQPTLGOOO-INIZCTEOSA-N 2 0 333.451 2.003 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)c2ccc3c[nH+]cn3c2C)cc1 ZINC001317366029 1332197332 /nfs/dbraw/zinc/19/73/32/1332197332.db2.gz HSRCACRBKGRZDG-UHFFFAOYSA-N 2 0 346.434 2.338 10 30 EEEERP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001321652998 1333138333 /nfs/dbraw/zinc/13/83/33/1333138333.db2.gz UGGVAQQPSZRUND-QRQLOZEOSA-N 2 0 329.488 2.392 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccccc1CC ZINC001325363116 1333872497 /nfs/dbraw/zinc/87/24/97/1333872497.db2.gz PUXNDWLQSIVHDE-RBUKOAKNSA-N 2 0 329.488 2.359 10 30 EEEERP C#CCC[N@H+]1CC[C@H](NC(=O)CN(C)Cc2ccccc2)C(C)(C)C1 ZINC001328112671 1334398632 /nfs/dbraw/zinc/39/86/32/1334398632.db2.gz GRGRWBMHUBFRIB-IBGZPJMESA-N 2 0 341.499 2.358 10 30 EEEERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001328399861 1334454288 /nfs/dbraw/zinc/45/42/88/1334454288.db2.gz LLCYHFZKVJNKML-HNNXBMFYSA-N 2 0 335.879 2.128 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001328674474 1334497092 /nfs/dbraw/zinc/49/70/92/1334497092.db2.gz WJBRXYFATSKLMH-IBGZPJMESA-N 2 0 327.472 2.356 10 30 EEEERP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001328686329 1334499334 /nfs/dbraw/zinc/49/93/34/1334499334.db2.gz GQPVFQJVGLKNEJ-MTQWCTHYSA-N 2 0 339.483 2.112 10 30 EEEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001328797467 1334523242 /nfs/dbraw/zinc/52/32/42/1334523242.db2.gz NTZBUWMEMNSXBB-MOPGFXCFSA-N 2 0 333.520 2.443 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C[C@H](F)CC)C(C)(C)C)CC1 ZINC001332898601 1335926851 /nfs/dbraw/zinc/92/68/51/1335926851.db2.gz KJAHHULMQGRSRO-IAGOWNOFSA-N 2 0 339.499 2.200 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C/C=C/Cl)CC(C)C)CC1 ZINC001667118398 1355651384 /nfs/dbraw/zinc/65/13/84/1355651384.db2.gz RAGMPCHQXHUEPK-JZLODUJNSA-N 2 0 339.911 2.205 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)CC(C)C)CC1 ZINC001667118397 1355651755 /nfs/dbraw/zinc/65/17/55/1355651755.db2.gz RAGMPCHQXHUEPK-CTEOGUNLSA-N 2 0 339.911 2.205 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)C[C@H](F)CC)C2)CC1 ZINC001567202567 1342711344 /nfs/dbraw/zinc/71/13/44/1342711344.db2.gz IFYQIMYGRSPZBM-QZTJIDSGSA-N 2 0 337.483 2.003 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001569708536 1342928149 /nfs/dbraw/zinc/92/81/49/1342928149.db2.gz BYPDOENVKXOIHZ-GOSISDBHSA-N 2 0 333.520 2.348 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001570640422 1343096300 /nfs/dbraw/zinc/09/63/00/1343096300.db2.gz AIYKGXDDQFSMMH-HZPDHXFCSA-N 2 0 333.451 2.002 10 30 EEEERP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001571650708 1343263046 /nfs/dbraw/zinc/26/30/46/1343263046.db2.gz COFIULTTXLYHGG-HKUYNNGSSA-N 2 0 333.520 2.347 10 30 EEEERP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001676365136 1357141165 /nfs/dbraw/zinc/14/11/65/1357141165.db2.gz SQOVWZJIFGZXKF-ICSRJNTNSA-N 2 0 341.499 2.349 10 30 EEEERP CC#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001649462173 1353518832 /nfs/dbraw/zinc/51/88/32/1353518832.db2.gz JDGPXMHPRVOWER-RBUKOAKNSA-N 2 0 333.520 2.302 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001661972061 1354730567 /nfs/dbraw/zinc/73/05/67/1354730567.db2.gz NGVYTSPTIHBVJB-RTBURBONSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[N@H+](C)CCCNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001662547468 1354805090 /nfs/dbraw/zinc/80/50/90/1354805090.db2.gz FCFIIQDYYHLLDT-UHFFFAOYSA-N 2 0 348.922 2.137 10 30 EEEERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001665839354 1355398157 /nfs/dbraw/zinc/39/81/57/1355398157.db2.gz NUYCKRIFAZLECQ-MRXNPFEDSA-N 2 0 335.879 2.128 10 30 EEEERP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC#Cc1ccccc1 ZINC001665866881 1355402123 /nfs/dbraw/zinc/40/21/23/1355402123.db2.gz MEFNMQYDGFGDHH-HXUWFJFHSA-N 2 0 341.499 2.254 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001670091101 1356273857 /nfs/dbraw/zinc/27/38/57/1356273857.db2.gz SEGLPYBYDRXAPD-LJQANCHMSA-N 2 0 342.487 2.369 10 30 EEEERP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC[NH+](CCC(C)C)CC1 ZINC001671481395 1356347091 /nfs/dbraw/zinc/34/70/91/1356347091.db2.gz IXOMATUWWYXGKD-QZTJIDSGSA-N 2 0 342.487 2.486 10 30 EEEERP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001672170651 1356472926 /nfs/dbraw/zinc/47/29/26/1356472926.db2.gz JCNNRSJPKGJPSZ-LJQANCHMSA-N 2 0 333.520 2.302 10 30 EEEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001672447220 1356524474 /nfs/dbraw/zinc/52/44/74/1356524474.db2.gz JDTCIFBTBKAEDZ-CEXWTWQISA-N 2 0 333.520 2.463 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CCO1 ZINC001673288735 1356661606 /nfs/dbraw/zinc/66/16/06/1356661606.db2.gz OCNCAZWCOVZHBP-QGZVFWFLSA-N 2 0 337.508 2.033 10 30 EEEERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001674674435 1356873199 /nfs/dbraw/zinc/87/31/99/1356873199.db2.gz RUPDNFUHFDGAJH-JKSUJKDBSA-N 2 0 345.462 2.144 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@H](F)CC)CCCC2)CC1 ZINC001698804358 1405077865 /nfs/dbraw/zinc/07/78/65/1405077865.db2.gz UKXIIDNQJOHVPR-QGZVFWFLSA-N 2 0 337.483 2.098 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)Cc2cccc(F)c2)CC1 ZINC001699011323 1405225429 /nfs/dbraw/zinc/22/54/29/1405225429.db2.gz VKTTUBSCMZXUPG-UHFFFAOYSA-N 2 0 345.462 2.061 10 30 EEEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001699787454 1405485138 /nfs/dbraw/zinc/48/51/38/1405485138.db2.gz XTRIOIAQBSKDNI-UHFFFAOYSA-N 2 0 331.504 2.199 10 30 EEEERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001436436555 1087818538 /nfs/dbraw/zinc/81/85/38/1087818538.db2.gz CQGAKSLYGXLUGL-JKSUJKDBSA-N 2 0 334.489 2.041 10 30 EEEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001440753354 1093998524 /nfs/dbraw/zinc/99/85/24/1093998524.db2.gz UNGYGKCOGBWBGT-UYSNPLJNSA-N 2 0 327.900 2.344 10 30 EEEERP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001441315184 1094769069 /nfs/dbraw/zinc/76/90/69/1094769069.db2.gz XRGRJYBNDHTRAG-HZPDHXFCSA-N 2 0 327.900 2.394 10 30 EEEERP C#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001479747862 1098887348 /nfs/dbraw/zinc/88/73/48/1098887348.db2.gz HRMGHIIORHJACS-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001479747861 1098888137 /nfs/dbraw/zinc/88/81/37/1098888137.db2.gz HRMGHIIORHJACS-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001479777091 1098957669 /nfs/dbraw/zinc/95/76/69/1098957669.db2.gz CAWASSXLDRUKQM-SFHVURJKSA-N 2 0 330.476 2.083 10 30 EEEERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001480486232 1100295829 /nfs/dbraw/zinc/29/58/29/1100295829.db2.gz KUBHGRGKEOBZFW-RHSMWYFYSA-N 2 0 335.879 2.126 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CC2CCC2)C2CC2)CC1 ZINC001495303682 1101004888 /nfs/dbraw/zinc/00/48/88/1101004888.db2.gz QUCPMALECBKLTJ-FQEVSTJZSA-N 2 0 331.504 2.006 10 30 EEEERP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001447937751 1103643134 /nfs/dbraw/zinc/64/31/34/1103643134.db2.gz WDZZJTJOGRHAOO-SJORKVTESA-N 2 0 342.487 2.417 10 30 EEEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001498337022 1107323238 /nfs/dbraw/zinc/32/32/38/1107323238.db2.gz GKAKCBJROQMWRJ-OAHLLOKOSA-N 2 0 327.432 2.284 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)CCC=C)CC1 ZINC001493160608 1107615581 /nfs/dbraw/zinc/61/55/81/1107615581.db2.gz IUMZSSPSTWWCJM-HKUYNNGSSA-N 2 0 331.504 2.267 10 30 EEEERP N#Cc1ccnc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC001459803874 1110248745 /nfs/dbraw/zinc/24/87/45/1110248745.db2.gz BSKMGRWMOOVOSR-UHFFFAOYSA-N 2 0 328.460 2.278 10 30 EEEERP C#CC[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001499606650 1112406112 /nfs/dbraw/zinc/40/61/12/1112406112.db2.gz REZSQMROACUKIP-FQEVSTJZSA-N 2 0 331.504 2.199 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]CC=C(C)C)CC1 ZINC001505849949 1114232591 /nfs/dbraw/zinc/23/25/91/1114232591.db2.gz FHYIUWRDPKNHTQ-UHFFFAOYSA-N 2 0 333.520 2.372 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CCC2CC2)C2CC2)CC1 ZINC001568033854 1124241263 /nfs/dbraw/zinc/24/12/63/1124241263.db2.gz KFQZVSFISVFITN-FQEVSTJZSA-N 2 0 331.504 2.006 10 30 EEEERP C#CC[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)C1CCCCC1)CC2 ZINC001568251395 1124386433 /nfs/dbraw/zinc/38/64/33/1124386433.db2.gz NXDXZHNCJMALBD-UHFFFAOYSA-N 2 0 331.504 2.199 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568393375 1124463996 /nfs/dbraw/zinc/46/39/96/1124463996.db2.gz KRIMVNWVLVYSBU-QFBILLFUSA-N 2 0 337.483 2.193 10 30 EEEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001569302734 1125219213 /nfs/dbraw/zinc/21/92/13/1125219213.db2.gz AZSIPQMSYUSNEL-PKOBYXMFSA-N 2 0 331.504 2.149 10 30 EEEERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)cc1C ZINC000118952023 279329495 /nfs/dbraw/zinc/32/94/95/279329495.db2.gz CQJGLPZHKJVGTC-SFHVURJKSA-N 2 0 342.487 2.355 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCNC[C@](C)(F)C1)C(C)C ZINC000417059525 466767046 /nfs/dbraw/zinc/76/70/46/466767046.db2.gz IOUYSUBXVMPXBE-AEFFLSMTSA-N 2 0 340.487 2.028 10 30 EEEERP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000392910695 467428748 /nfs/dbraw/zinc/42/87/48/467428748.db2.gz FDXHMSVSSUBEDA-IBGZPJMESA-N 2 0 343.471 2.106 10 30 EEEERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000596653961 469322937 /nfs/dbraw/zinc/32/29/37/469322937.db2.gz MRZRMQOGDBERSH-HNNXBMFYSA-N 2 0 328.460 2.199 10 30 EEEERP [NH2+]=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000262471590 686246784 /nfs/dbraw/zinc/24/67/84/686246784.db2.gz PCDKZRBCNMTIRT-VMBOVVBDSA-N 2 0 328.460 2.431 10 30 EEEERP C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485715386 1191906606 /nfs/dbraw/zinc/90/66/06/1191906606.db2.gz YKSNDLITNWAQFW-CRAIPNDOSA-N 2 0 328.460 2.027 10 30 EEEERP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001772517146 1176583287 /nfs/dbraw/zinc/58/32/87/1176583287.db2.gz GBFYISOVIIOWKH-LJQANCHMSA-N 2 0 339.483 2.237 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001266550854 1176819130 /nfs/dbraw/zinc/81/91/30/1176819130.db2.gz FKEIAEYERMMSLL-DUMMIQTOSA-N 2 0 331.504 2.126 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001671491725 1176834930 /nfs/dbraw/zinc/83/49/30/1176834930.db2.gz ICEQAPDNQCTLQL-MRXNPFEDSA-N 2 0 337.483 2.003 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001481443794 1181359957 /nfs/dbraw/zinc/35/99/57/1181359957.db2.gz GAWFPTSRUYILKG-JYJNAYRXSA-N 2 0 327.900 2.297 10 30 EEEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001481520005 1181631998 /nfs/dbraw/zinc/63/19/98/1181631998.db2.gz YZPQQXYHOFWNHP-OALUTQOASA-N 2 0 331.504 2.197 10 30 EEEERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001481824203 1182743305 /nfs/dbraw/zinc/74/33/05/1182743305.db2.gz QMBXVUVFDJLEGV-MOPGFXCFSA-N 2 0 327.472 2.007 10 30 EEEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268550557 1183234466 /nfs/dbraw/zinc/23/44/66/1183234466.db2.gz QLNIXIRXYKMBRP-YIEVGGLXSA-N 2 0 325.884 2.408 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001269422494 1184254789 /nfs/dbraw/zinc/25/47/89/1184254789.db2.gz DFZOFCCXJXILCU-LJQANCHMSA-N 2 0 339.483 2.151 10 30 EEEERP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001269575199 1184404600 /nfs/dbraw/zinc/40/46/00/1184404600.db2.gz RNZLZYJXASNCAL-MVCQKVDPSA-N 2 0 349.519 2.033 10 30 EEEERP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001279112508 1185432977 /nfs/dbraw/zinc/43/29/77/1185432977.db2.gz IVBXBLSGWVDRAN-IRXDYDNUSA-N 2 0 333.520 2.347 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](C)C1 ZINC001482439877 1185724794 /nfs/dbraw/zinc/72/47/94/1185724794.db2.gz WXMTXFIOWYSBRW-AZUAARDMSA-N 2 0 341.499 2.205 10 30 EEEERP C=CCC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCOCC1 ZINC001271085423 1185869227 /nfs/dbraw/zinc/86/92/27/1185869227.db2.gz AAKUARMOGZPHHR-UHFFFAOYSA-N 2 0 345.487 2.193 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH2+]CC(C)C)CC1 ZINC001482500040 1186409601 /nfs/dbraw/zinc/40/96/01/1186409601.db2.gz GZIFDNJLWMPTSR-MJGOQNOKSA-N 2 0 333.520 2.204 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001482603311 1187347718 /nfs/dbraw/zinc/34/77/18/1187347718.db2.gz ATKGSWHQOWMEAH-FQEVSTJZSA-N 2 0 341.499 2.291 10 30 EEEERP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001691813198 1188291951 /nfs/dbraw/zinc/29/19/51/1188291951.db2.gz INYLFCNEWLQBKL-SJORKVTESA-N 2 0 339.499 2.296 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001272821858 1193561410 /nfs/dbraw/zinc/56/14/10/1193561410.db2.gz CPFBYONICLBBOB-QFBILLFUSA-N 2 0 342.487 2.417 10 30 EEEERP N#Cc1ccc(C[NH2+]C/C=C\CNC(=O)CC[NH+]2CCCCC2)s1 ZINC001483097405 1188472860 /nfs/dbraw/zinc/47/28/60/1188472860.db2.gz JXZCPGMCABOGRB-IHWYPQMZSA-N 2 0 346.500 2.258 10 30 EEEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001691640759 1190833987 /nfs/dbraw/zinc/83/39/87/1190833987.db2.gz RWTIXANNZHBPQA-PKOBYXMFSA-N 2 0 327.472 2.260 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCC2CC2)CC1 ZINC001483983867 1191141902 /nfs/dbraw/zinc/14/19/02/1191141902.db2.gz CXMMZQPAEXNZFF-VQIMIIECSA-N 2 0 331.504 2.053 10 30 EEEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001484101319 1191211189 /nfs/dbraw/zinc/21/11/89/1191211189.db2.gz QMPSRXHYAZBSQV-HXUWFJFHSA-N 2 0 333.520 2.491 10 30 EEEERP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001484462089 1191366074 /nfs/dbraw/zinc/36/60/74/1191366074.db2.gz BELGZZIQBAUBSP-MOPGFXCFSA-N 2 0 331.504 2.341 10 30 EEEERP C=CCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C(F)(F)F ZINC001486452731 1193974335 /nfs/dbraw/zinc/97/43/35/1193974335.db2.gz NNZCLJSZRLHCPO-ZIAGYGMSSA-N 2 0 347.425 2.416 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001410927652 1198592382 /nfs/dbraw/zinc/59/23/82/1198592382.db2.gz UZGLHRDMQIDVOD-ARFHVFGLSA-N 2 0 327.900 2.296 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001411215798 1198924438 /nfs/dbraw/zinc/92/44/38/1198924438.db2.gz WRGCEFPGUZWIQM-HUUCEWRRSA-N 2 0 327.900 2.201 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000876741264 1199750960 /nfs/dbraw/zinc/75/09/60/1199750960.db2.gz PIWIFTDXGQMMQD-HOTGVXAUSA-N 2 0 327.900 2.427 10 30 EEEERP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000867979285 1201718912 /nfs/dbraw/zinc/71/89/12/1201718912.db2.gz CIUGUDWIAUNNDJ-UXHICEINSA-N 2 0 348.450 2.341 10 30 EEEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCOCC1 ZINC001273980184 1202185510 /nfs/dbraw/zinc/18/55/10/1202185510.db2.gz VPKYSHYCTSTWLX-QZTJIDSGSA-N 2 0 349.519 2.225 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1 ZINC001274609038 1205095581 /nfs/dbraw/zinc/09/55/81/1205095581.db2.gz HUOJNGLHFUXAOX-VZSQWMKGSA-N 2 0 340.471 2.195 10 30 EEEERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CC#Cc1ccc(Cl)cc1 ZINC001276001912 1205628658 /nfs/dbraw/zinc/62/86/58/1205628658.db2.gz IISNIAWWVYECBQ-DOTOQJQBSA-N 2 0 347.890 2.080 10 30 EEEERP CN(CCC[NH2+]CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276179645 1205819104 /nfs/dbraw/zinc/81/91/04/1205819104.db2.gz KZGDVDNQXUVCHS-IBGZPJMESA-N 2 0 345.462 2.100 10 30 EEEERP C[C@@H]1CN(C(C)(C)CNC(=[NH2+])NCCc2cccs2)C[C@H](C)O1 ZINC000303790589 1213906250 /nfs/dbraw/zinc/90/62/50/1213906250.db2.gz WNHFVJGRBWCIFW-OKILXGFUSA-N 2 0 338.521 2.083 10 30 EEEERP C[C@H]([NH2+]C(C)(C)CNC(=O)C#CC1CC[NH2+]CC1)c1ccccc1 ZINC000852865495 1292220803 /nfs/dbraw/zinc/22/08/03/1292220803.db2.gz FHQZFKVAQZNSPN-INIZCTEOSA-N 2 0 327.472 2.235 10 30 EEEERP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852886956 1292225368 /nfs/dbraw/zinc/22/53/68/1292225368.db2.gz ALBVFIYXEGECHY-FXAWDEMLSA-N 2 0 339.483 2.016 10 30 EEEERP C#CC[C@H](NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000853909458 1292522038 /nfs/dbraw/zinc/52/20/38/1292522038.db2.gz CKJZOEAHRUPXJV-HKUYNNGSSA-N 2 0 344.503 2.322 10 30 EEEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CC2CCCC2)CC1 ZINC001278184749 1306210683 /nfs/dbraw/zinc/21/06/83/1306210683.db2.gz RPVGGQUEKFQIHF-IBGZPJMESA-N 2 0 333.520 2.443 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(C)C)CC1 ZINC001264567146 1322733705 /nfs/dbraw/zinc/73/37/05/1322733705.db2.gz VOVZDHFNZGILJC-MJGOQNOKSA-N 2 0 333.520 2.204 10 30 EEEERP C[N@@H+](CC#Cc1ccccc1)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001264996510 1322843865 /nfs/dbraw/zinc/84/38/65/1322843865.db2.gz JMNMZRLFTOERRC-FQEVSTJZSA-N 2 0 341.499 2.351 10 30 EEEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265303788 1323054404 /nfs/dbraw/zinc/05/44/04/1323054404.db2.gz PCNXOPWKQDXPHP-CRAIPNDOSA-N 2 0 325.472 2.356 10 30 EEEERP C=CC[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266159233 1323728382 /nfs/dbraw/zinc/72/83/82/1323728382.db2.gz JGZYRAYTGVKAAJ-UXHICEINSA-N 2 0 341.499 2.489 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266191887 1323754831 /nfs/dbraw/zinc/75/48/31/1323754831.db2.gz MBTNVMPRLQGWGA-INIZCTEOSA-N 2 0 333.451 2.002 10 30 EEEERP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001282964349 1325857256 /nfs/dbraw/zinc/85/72/56/1325857256.db2.gz GYLNXTFFDXYMGU-INIZCTEOSA-N 2 0 325.472 2.167 10 30 EEEERP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283351287 1326024881 /nfs/dbraw/zinc/02/48/81/1326024881.db2.gz OOCODZBQGRJROF-ICSRJNTNSA-N 2 0 341.499 2.358 10 30 EEEERP C=CCC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001491900172 1330295870 /nfs/dbraw/zinc/29/58/70/1330295870.db2.gz CHWIZJDSGHNHGY-VQIMIIECSA-N 2 0 329.488 2.351 10 30 EEEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001491952272 1330343713 /nfs/dbraw/zinc/34/37/13/1330343713.db2.gz PXCHXVVIVMPSLQ-FQEVSTJZSA-N 2 0 341.499 2.107 10 30 EEEERP C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1cccc(C#N)c1 ZINC001492450811 1331263151 /nfs/dbraw/zinc/26/31/51/1331263151.db2.gz ZNXWMNXGNORCKG-RBUKOAKNSA-N 2 0 340.471 2.123 10 30 EEEERP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]2C1 ZINC001316757143 1331875170 /nfs/dbraw/zinc/87/51/70/1331875170.db2.gz MZDDHSAAEVNACS-MOPGFXCFSA-N 2 0 333.520 2.302 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317138204 1332095470 /nfs/dbraw/zinc/09/54/70/1332095470.db2.gz MMHANMMJCGVMQV-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C=C(C)CC[NH2+]C1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001317223191 1332143158 /nfs/dbraw/zinc/14/31/58/1332143158.db2.gz MVSQZQFQOAAWPF-UHFFFAOYSA-N 2 0 337.508 2.080 10 30 EEEERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001317413455 1332219092 /nfs/dbraw/zinc/21/90/92/1332219092.db2.gz BHSDZWDZTIHPKT-RDJZCZTQSA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317432952 1332236804 /nfs/dbraw/zinc/23/68/04/1332236804.db2.gz WMOJJPCZSSCWFI-IBGZPJMESA-N 2 0 327.472 2.356 10 30 EEEERP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001319038674 1332640328 /nfs/dbraw/zinc/64/03/28/1332640328.db2.gz SYWKNQMZGXJGJI-RBUKOAKNSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001319620461 1332729741 /nfs/dbraw/zinc/72/97/41/1332729741.db2.gz OLFWEDIVIWOJJB-MRXNPFEDSA-N 2 0 339.443 2.025 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CCC)CC1 ZINC001324426853 1333680690 /nfs/dbraw/zinc/68/06/90/1333680690.db2.gz OEIHQGCUNNAQDW-IEBWSBKVSA-N 2 0 331.504 2.340 10 30 EEEERP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)CC[N@@H+](C)CC)CC1 ZINC001325716087 1333946155 /nfs/dbraw/zinc/94/61/55/1333946155.db2.gz LPRNNNIEALXMPU-UHFFFAOYSA-N 2 0 344.503 2.402 10 30 EEEERP C#CCC[N@@H+](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001331054857 1334954244 /nfs/dbraw/zinc/95/42/44/1334954244.db2.gz WUDBXXCRFCKCKC-UHFFFAOYSA-N 2 0 341.499 2.350 10 30 EEEERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001331546838 1335035132 /nfs/dbraw/zinc/03/51/32/1335035132.db2.gz KYSURYKXQNUKRX-IEBWSBKVSA-N 2 0 329.488 2.061 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C(C)(C)C ZINC001332881154 1335924341 /nfs/dbraw/zinc/92/43/41/1335924341.db2.gz HIDOFOFOHPHPMX-ROUUACIJSA-N 2 0 329.488 2.433 10 30 EEEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C(F)(F)F ZINC001333021381 1335949035 /nfs/dbraw/zinc/94/90/35/1335949035.db2.gz OMDXSOJCHQDBAN-UONOGXRCSA-N 2 0 347.425 2.273 10 30 EEEERP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001566967920 1342668799 /nfs/dbraw/zinc/66/87/99/1342668799.db2.gz YUMBSTWVTZORIH-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CC#Cc3ccccc3)CC2)C1 ZINC001566991143 1342674582 /nfs/dbraw/zinc/67/45/82/1342674582.db2.gz JRTIQWXYTKESGE-HDYDNRTBSA-N 2 0 339.483 2.007 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001569723120 1342932810 /nfs/dbraw/zinc/93/28/10/1342932810.db2.gz BSXYEPOAINARDH-FQEVSTJZSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001570722550 1343107213 /nfs/dbraw/zinc/10/72/13/1343107213.db2.gz XCAVCLQBIKNOLB-OAHLLOKOSA-N 2 0 327.432 2.284 10 30 EEEERP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001571021766 1343153977 /nfs/dbraw/zinc/15/39/77/1343153977.db2.gz JQCLXUDBEJAOOS-FHWLQOOXSA-N 2 0 331.504 2.102 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001571490537 1343218570 /nfs/dbraw/zinc/21/85/70/1343218570.db2.gz FSTGULUAMBKIEN-VQIMIIECSA-N 2 0 345.462 2.098 10 30 EEEERP C=CCOCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC001571502101 1343220656 /nfs/dbraw/zinc/22/06/56/1343220656.db2.gz ZZIZTDVGQOYHHR-WSTZPKSXSA-N 2 0 349.519 2.175 10 30 EEEERP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001571645533 1343260391 /nfs/dbraw/zinc/26/03/91/1343260391.db2.gz JMDLIQUSQJHBDI-MSOLQXFVSA-N 2 0 333.520 2.491 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001656839590 1354282996 /nfs/dbraw/zinc/28/29/96/1354282996.db2.gz GAXMFMJMBLZVSO-KSZLIROESA-N 2 0 331.504 2.217 10 30 EEEERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001662394587 1354790616 /nfs/dbraw/zinc/79/06/16/1354790616.db2.gz LYYPSOBDYNJVIG-QAPCUYQASA-N 2 0 349.906 2.372 10 30 EEEERP C=CCC[C@@H](CO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001662446975 1354798559 /nfs/dbraw/zinc/79/85/59/1354798559.db2.gz DPTDCQJREUIUKN-AWEZNQCLSA-N 2 0 342.386 2.486 10 30 EEEERP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001662785186 1354846323 /nfs/dbraw/zinc/84/63/23/1354846323.db2.gz MLBINJPZHJXOOD-IRXDYDNUSA-N 2 0 337.508 2.080 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC=C)CC2)CC1 ZINC001673406751 1354852555 /nfs/dbraw/zinc/85/25/55/1354852555.db2.gz IWPBRQLHPBJCBE-IBGZPJMESA-N 2 0 331.504 2.269 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001666145014 1355465884 /nfs/dbraw/zinc/46/58/84/1355465884.db2.gz BNLMLDKJNPKQQH-LPHOPBHVSA-N 2 0 337.483 2.050 10 30 EEEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)COC2CC[NH+](C)CC2)cc1 ZINC001666344785 1355513876 /nfs/dbraw/zinc/51/38/76/1355513876.db2.gz OTZXZJQTQIRBKH-UHFFFAOYSA-N 2 0 345.487 2.079 10 30 EEEERP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001666500814 1355535228 /nfs/dbraw/zinc/53/52/28/1355535228.db2.gz BIAQBXLFINXFNT-UHFFFAOYSA-N 2 0 331.504 2.200 10 30 EEEERP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCc2cncn2C1 ZINC001667268164 1355693804 /nfs/dbraw/zinc/69/38/04/1355693804.db2.gz SZRCTVPTIVSHOD-DLBZAZTESA-N 2 0 330.476 2.382 10 30 EEEERP N#Cc1ccc(C[NH2+]C/C=C/CNC(=O)C23CCC[NH+]2CCC3)s1 ZINC001668912981 1356043212 /nfs/dbraw/zinc/04/32/12/1356043212.db2.gz XRYJOWQMYADNSO-OWOJBTEDSA-N 2 0 344.484 2.010 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001669289249 1356140755 /nfs/dbraw/zinc/14/07/55/1356140755.db2.gz USHPWKRSIKZCTB-IEBWSBKVSA-N 2 0 327.472 2.005 10 30 EEEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCOCC1 ZINC001671935046 1356441088 /nfs/dbraw/zinc/44/10/88/1356441088.db2.gz SIFHAHULBXUFBU-GOSISDBHSA-N 2 0 349.519 2.225 10 30 EEEERP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001674034449 1356780084 /nfs/dbraw/zinc/78/00/84/1356780084.db2.gz UNVBLUQOPDOJCQ-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001674771921 1356893826 /nfs/dbraw/zinc/89/38/26/1356893826.db2.gz COUBZSHOFQFBGV-IAGOWNOFSA-N 2 0 333.520 2.395 10 30 EEEERP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001699975499 1405615832 /nfs/dbraw/zinc/61/58/32/1405615832.db2.gz DMKLNLFPKSEBEG-MHORFTMASA-N 2 0 337.483 2.049 10 30 EEEERP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2cnccc2OC)C(C)(C)C1 ZINC000940835436 779382258 /nfs/dbraw/zinc/38/22/58/779382258.db2.gz CILABQCSDXKOJM-QGZVFWFLSA-N 2 0 331.460 2.426 10 30 EEEERP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923385757 789481804 /nfs/dbraw/zinc/48/18/04/789481804.db2.gz HPHXWLBTAJIDMQ-MOPGFXCFSA-N 2 0 343.471 2.010 10 30 EEEERP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)C1)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000086909810 795765983 /nfs/dbraw/zinc/76/59/83/795765983.db2.gz MZFYEAOBIAXZSS-ZWKOTPCHSA-N 2 0 343.519 2.162 10 30 EEEERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001437169994 1089192709 /nfs/dbraw/zinc/19/27/09/1089192709.db2.gz WGMVWULKVWAKQN-RHSMWYFYSA-N 2 0 346.450 2.166 10 30 EEEERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001438707668 1091220439 /nfs/dbraw/zinc/22/04/39/1091220439.db2.gz WHKWKPBNOPQMMY-KBXCAEBGSA-N 2 0 348.466 2.220 10 30 EEEERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001438770829 1091353656 /nfs/dbraw/zinc/35/36/56/1091353656.db2.gz IYUWVWGGEIIZCT-APWZRJJASA-N 2 0 342.487 2.227 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001439465095 1092249351 /nfs/dbraw/zinc/24/93/51/1092249351.db2.gz RLMWRZGUGNNMGM-OAHLLOKOSA-N 2 0 325.884 2.099 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001439465973 1092249939 /nfs/dbraw/zinc/24/99/39/1092249939.db2.gz GYGIGBMPHQCDKY-HOTGVXAUSA-N 2 0 327.900 2.344 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001448526691 1093557907 /nfs/dbraw/zinc/55/79/07/1093557907.db2.gz YLTDWHZLFYKPHW-ZQIUZPCESA-N 2 0 345.890 2.436 10 30 EEEERP C[NH+](C)CCCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001440388503 1093562896 /nfs/dbraw/zinc/56/28/96/1093562896.db2.gz JYSDGUNRLGHMDU-RBUKOAKNSA-N 2 0 342.487 2.275 10 30 EEEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001440756808 1093999983 /nfs/dbraw/zinc/99/99/83/1093999983.db2.gz OBIJBLYSLJLFMM-PCKAHOCUSA-N 2 0 327.900 2.345 10 30 EEEERP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001441539842 1095253944 /nfs/dbraw/zinc/25/39/44/1095253944.db2.gz IUTAICCLWZFOAK-OKILXGFUSA-N 2 0 344.297 2.008 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC001441930692 1096118551 /nfs/dbraw/zinc/11/85/51/1096118551.db2.gz XHXDAPNSXXZLNA-MSOLQXFVSA-N 2 0 349.906 2.398 10 30 EEEERP C=C(C)C[N@H+](CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001479872378 1099219824 /nfs/dbraw/zinc/21/98/24/1099219824.db2.gz GSNAVBRSHKCYKP-UHFFFAOYSA-N 2 0 339.443 2.428 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001495588225 1101293216 /nfs/dbraw/zinc/29/32/16/1101293216.db2.gz NSRSGGNUFKPHBM-MOPGFXCFSA-N 2 0 327.472 2.283 10 30 EEEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001447417441 1102616784 /nfs/dbraw/zinc/61/67/84/1102616784.db2.gz VPPGITBVPPYZSS-UHFFFAOYSA-N 2 0 327.900 2.442 10 30 EEEERP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC001497662889 1102852732 /nfs/dbraw/zinc/85/27/32/1102852732.db2.gz MYJVLGPIRUNSIY-YKTDSXCKSA-N 2 0 340.471 2.051 10 30 EEEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001447812899 1103374257 /nfs/dbraw/zinc/37/42/57/1103374257.db2.gz YLTDWHZLFYKPHW-KVULBXGLSA-N 2 0 345.890 2.436 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC001480735588 1107005958 /nfs/dbraw/zinc/00/59/58/1107005958.db2.gz VWANUSSCJAKENO-QGZVFWFLSA-N 2 0 346.450 2.072 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1CC ZINC001498889431 1108282721 /nfs/dbraw/zinc/28/27/21/1108282721.db2.gz LJBJPZIMZXQODB-QFBILLFUSA-N 2 0 338.455 2.496 10 30 EEEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001500404282 1112806233 /nfs/dbraw/zinc/80/62/33/1112806233.db2.gz CACKSHMFOFRONQ-UYAOXDASSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001501179569 1113230565 /nfs/dbraw/zinc/23/05/65/1113230565.db2.gz PLDUZRPOZPYBST-IYARVYRRSA-N 2 0 333.520 2.396 10 30 EEEERP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001501662468 1113421111 /nfs/dbraw/zinc/42/11/11/1113421111.db2.gz APOLJRCMKIUGLG-VQIMIIECSA-N 2 0 327.472 2.098 10 30 EEEERP C=CCCC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001506720388 1114829466 /nfs/dbraw/zinc/82/94/66/1114829466.db2.gz HXQYLPSMUVWZTK-ICSRJNTNSA-N 2 0 349.519 2.130 10 30 EEEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC001507431418 1115265010 /nfs/dbraw/zinc/26/50/10/1115265010.db2.gz MPNZGRGQMDRBAN-PKOBYXMFSA-N 2 0 345.531 2.491 10 30 EEEERP CC(C)C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001568339385 1124426555 /nfs/dbraw/zinc/42/65/55/1124426555.db2.gz SVFCNAFPNPUUEK-HXUWFJFHSA-N 2 0 341.499 2.254 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001568392911 1124462750 /nfs/dbraw/zinc/46/27/50/1124462750.db2.gz ZFYNLMAMZSWBPE-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001568427411 1124494953 /nfs/dbraw/zinc/49/49/53/1124494953.db2.gz UKPDOKQJVWJXLN-QAPCUYQASA-N 2 0 339.443 2.284 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001568536754 1124598362 /nfs/dbraw/zinc/59/83/62/1124598362.db2.gz LVZFTBAYZKNJAR-MJGOQNOKSA-N 2 0 345.462 2.003 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2CC)CC1 ZINC001569099030 1125097418 /nfs/dbraw/zinc/09/74/18/1125097418.db2.gz ODCDNHALGKLSKB-KRWDZBQOSA-N 2 0 341.499 2.189 10 30 EEEERP COc1c[nH+]ccc1N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000337253684 465269688 /nfs/dbraw/zinc/26/96/88/465269688.db2.gz SEFYMHWGTGHOBG-UHFFFAOYSA-N 2 0 344.459 2.313 10 30 EEEERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn3ccccc3c2C#N)CC1 ZINC000069658766 463297266 /nfs/dbraw/zinc/29/72/66/463297266.db2.gz XCDFVWXVUXSTAC-INIZCTEOSA-N 2 0 340.471 2.336 10 30 EEEERP C[C@H]1C[C@@H](N(C)CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1C ZINC000123026067 463310297 /nfs/dbraw/zinc/31/02/97/463310297.db2.gz CMBZJVSTHVKCBN-WMZOPIPTSA-N 2 0 328.460 2.348 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(C)C ZINC000417074293 466771287 /nfs/dbraw/zinc/77/12/87/466771287.db2.gz ZCNRWWWKJMTYKW-FGTMMUONSA-N 2 0 334.508 2.221 10 30 EEEERP COc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1C#N ZINC000530248101 467968473 /nfs/dbraw/zinc/96/84/73/467968473.db2.gz FZEOVOURCSMHQH-SFHVURJKSA-N 2 0 329.444 2.157 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000594437555 468587056 /nfs/dbraw/zinc/58/70/56/468587056.db2.gz JWTMKZMCFLIADA-LJQANCHMSA-N 2 0 342.487 2.426 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000594439356 468588221 /nfs/dbraw/zinc/58/82/21/468588221.db2.gz UTWPKHBFSWEBPM-RDJZCZTQSA-N 2 0 348.516 2.488 10 30 EEEERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594443884 468590136 /nfs/dbraw/zinc/59/01/36/468590136.db2.gz WNHLGFQDUKTHJB-QAPCUYQASA-N 2 0 343.475 2.134 10 30 EEEERP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)NCC1CCC(C(F)(F)F)CC1 ZINC000262556124 679543221 /nfs/dbraw/zinc/54/32/21/679543221.db2.gz UYMFSTVRHOMPPJ-ROKHWSDSSA-N 2 0 334.430 2.472 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001485669909 1191889567 /nfs/dbraw/zinc/88/95/67/1191889567.db2.gz CDVJODUZIZNFBF-KRWDZBQOSA-N 2 0 349.519 2.034 10 30 EEEERP CC[C@H](C(=O)NCCN(C)CC#Cc1ccccc1Cl)[NH+](C)C ZINC001267226282 1178544344 /nfs/dbraw/zinc/54/43/44/1178544344.db2.gz QKGURENETGMZHE-QGZVFWFLSA-N 2 0 335.879 2.080 10 30 EEEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001267733338 1180327637 /nfs/dbraw/zinc/32/76/37/1180327637.db2.gz LETXBCYQXIMMGR-RBUKOAKNSA-N 2 0 331.504 2.197 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267809221 1180562872 /nfs/dbraw/zinc/56/28/72/1180562872.db2.gz HHCXFWUJLRGWKI-RBUKOAKNSA-N 2 0 345.462 2.146 10 30 EEEERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC#Cc1ccccc1 ZINC001268000580 1180951120 /nfs/dbraw/zinc/95/11/20/1180951120.db2.gz MYFXIZCLSMKYDC-BJLQDIEVSA-N 2 0 341.499 2.110 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2C[NH2+]CC(=C)C)CC1 ZINC001268198042 1181992856 /nfs/dbraw/zinc/99/28/56/1181992856.db2.gz NQYKUAXDCHCWFH-HKUYNNGSSA-N 2 0 331.504 2.124 10 30 EEEERP C#CCC[N@@H+](C)CCC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001268206097 1182007181 /nfs/dbraw/zinc/00/71/81/1182007181.db2.gz PKUYNQXRVBBRBE-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001268712377 1183632719 /nfs/dbraw/zinc/63/27/19/1183632719.db2.gz SNOXZUUIRYFYIL-YJBOKZPZSA-N 2 0 349.906 2.372 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001482437381 1185715364 /nfs/dbraw/zinc/71/53/64/1185715364.db2.gz NTNCTEGOIWSQCC-APWZRJJASA-N 2 0 327.472 2.212 10 30 EEEERP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001271100124 1185884256 /nfs/dbraw/zinc/88/42/56/1185884256.db2.gz IKFUDLUBAXMQCP-HNNXBMFYSA-N 2 0 331.451 2.368 10 30 EEEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001482531061 1186523523 /nfs/dbraw/zinc/52/35/23/1186523523.db2.gz IZZCVLPYBHERLY-PKOBYXMFSA-N 2 0 333.520 2.395 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001482552273 1186668452 /nfs/dbraw/zinc/66/84/52/1186668452.db2.gz CMHGZSREODYAOK-AZUAARDMSA-N 2 0 341.499 2.110 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001482901399 1187813851 /nfs/dbraw/zinc/81/38/51/1187813851.db2.gz KAGNEDHMHMBGAN-CQSZACIVSA-N 2 0 346.313 2.255 10 30 EEEERP CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482929589 1187850257 /nfs/dbraw/zinc/85/02/57/1187850257.db2.gz BNWFTOCMKVKVIY-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001279150888 1187907988 /nfs/dbraw/zinc/90/79/88/1187907988.db2.gz YNPLFGLYRPYBHA-AZUAARDMSA-N 2 0 343.515 2.421 10 30 EEEERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC#Cc2ccccc2)CC1 ZINC001483180982 1189045587 /nfs/dbraw/zinc/04/55/87/1189045587.db2.gz OUWJAKKODCOBLD-GOSISDBHSA-N 2 0 341.499 2.253 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)Cc2cccc(C)c2)CC1 ZINC001483420451 1190466886 /nfs/dbraw/zinc/46/68/86/1190466886.db2.gz JHJSJXHNIAOYLD-GOSISDBHSA-N 2 0 341.499 2.277 10 30 EEEERP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001484468134 1191372669 /nfs/dbraw/zinc/37/26/69/1191372669.db2.gz XXEYMSZYTWAZMZ-MOPGFXCFSA-N 2 0 331.504 2.341 10 30 EEEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001484820126 1191539702 /nfs/dbraw/zinc/53/97/02/1191539702.db2.gz GYUQWNAVXBYJEC-GOSISDBHSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001484916474 1191568992 /nfs/dbraw/zinc/56/89/92/1191568992.db2.gz SAAIQHBUPLIPAM-HNNXBMFYSA-N 2 0 325.884 2.051 10 30 EEEERP CCN(CC[NH2+]Cc1cc(C#N)ccc1F)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001273433520 1198915940 /nfs/dbraw/zinc/91/59/40/1198915940.db2.gz AYERIGSTSYOYCN-SFHVURJKSA-N 2 0 348.466 2.222 10 30 EEEERP C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000934467528 1207968340 /nfs/dbraw/zinc/96/83/40/1207968340.db2.gz OFSLLLBMTYNSCF-YTQUADARSA-N 2 0 327.472 2.416 10 30 EEEERP C[NH+](C)CCn1ccc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc21 ZINC000852870147 1292221725 /nfs/dbraw/zinc/22/17/25/1292221725.db2.gz JUOIMKKCSLUHLW-UHFFFAOYSA-N 2 0 338.455 2.144 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)C(C)C ZINC001119409062 1309067639 /nfs/dbraw/zinc/06/76/39/1309067639.db2.gz DJGYMQGWZPSLBQ-OKZBNKHCSA-N 2 0 334.508 2.221 10 30 EEEERP C[NH+](C)CCCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001263917313 1322554173 /nfs/dbraw/zinc/55/41/73/1322554173.db2.gz ZTZMIDDCTUPJLM-VQTJNVASSA-N 2 0 341.499 2.254 10 30 EEEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001264127878 1322636064 /nfs/dbraw/zinc/63/60/64/1322636064.db2.gz NEBRWAUHHSKNCC-RTBURBONSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)[C@@H]21 ZINC001264586641 1322741499 /nfs/dbraw/zinc/74/14/99/1322741499.db2.gz SDKPWGLVTWZGJH-BHIYHBOVSA-N 2 0 333.520 2.347 10 30 EEEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001281912600 1325507514 /nfs/dbraw/zinc/50/75/14/1325507514.db2.gz PDEOJMGRHGOCAA-QKYXUNIQSA-N 2 0 327.472 2.276 10 30 EEEERP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001282567153 1325742047 /nfs/dbraw/zinc/74/20/47/1325742047.db2.gz GYBNHISTUUTLOE-QFBILLFUSA-N 2 0 339.499 2.295 10 30 EEEERP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C(C)(C)C1 ZINC001282819760 1325796607 /nfs/dbraw/zinc/79/66/07/1325796607.db2.gz GHQVQJVBPFLKJG-IBGZPJMESA-N 2 0 341.499 2.011 10 30 EEEERP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001284736485 1326689322 /nfs/dbraw/zinc/68/93/22/1326689322.db2.gz HKLRVODFDHQCDV-HUUCEWRRSA-N 2 0 347.425 2.417 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001491683253 1330204668 /nfs/dbraw/zinc/20/46/68/1330204668.db2.gz RDDNCHGUEBXMLF-YJBOKZPZSA-N 2 0 328.460 2.027 10 30 EEEERP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001492164678 1331029670 /nfs/dbraw/zinc/02/96/70/1331029670.db2.gz DBOQXCWFGHSPFQ-VQIMIIECSA-N 2 0 337.483 2.193 10 30 EEEERP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001316688348 1331338301 /nfs/dbraw/zinc/33/83/01/1331338301.db2.gz YEPMVGUAKNYUEL-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001318553975 1332560008 /nfs/dbraw/zinc/56/00/08/1332560008.db2.gz DPTLTTWKVUARRW-FUHWJXTLSA-N 2 0 347.890 2.270 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CCC(=C)C)C2CC2)CC1 ZINC001318727630 1332584107 /nfs/dbraw/zinc/58/41/07/1332584107.db2.gz LWORSAQMWGRZBX-FQEVSTJZSA-N 2 0 331.504 2.172 10 30 EEEERP CCC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001319562518 1332722049 /nfs/dbraw/zinc/72/20/49/1332722049.db2.gz LDBQHOISZZXHIT-KRWDZBQOSA-N 2 0 347.478 2.346 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001319812308 1332774143 /nfs/dbraw/zinc/77/41/43/1332774143.db2.gz XHMFZMDAFKKMOO-ZWKOTPCHSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[N@@H+](C)CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001319889493 1332792858 /nfs/dbraw/zinc/79/28/58/1332792858.db2.gz WWUYTQQUOAWOHI-UHFFFAOYSA-N 2 0 333.520 2.301 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001320445144 1332884989 /nfs/dbraw/zinc/88/49/89/1332884989.db2.gz FSPLAVAOOOGDPG-MRXNPFEDSA-N 2 0 345.462 2.146 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CCO1 ZINC001327035044 1334208306 /nfs/dbraw/zinc/20/83/06/1334208306.db2.gz NBYJCJQQHBMSNJ-QZTJIDSGSA-N 2 0 337.508 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001329203206 1334605806 /nfs/dbraw/zinc/60/58/06/1334605806.db2.gz QYKZDYCUBINSCV-KWXXWNBCSA-N 2 0 346.302 2.133 10 30 EEEERP C=CC[NH2+][C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC001332221880 1335773297 /nfs/dbraw/zinc/77/32/97/1335773297.db2.gz PIHPVUNRYYQEEO-RBUKOAKNSA-N 2 0 329.488 2.364 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001332812192 1335912078 /nfs/dbraw/zinc/91/20/78/1335912078.db2.gz ZENFADBFUYQQMX-WMZOPIPTSA-N 2 0 333.520 2.395 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)c(F)c1 ZINC001333473200 1336055236 /nfs/dbraw/zinc/05/52/36/1336055236.db2.gz MSFPTLZDQJOFKX-GOSISDBHSA-N 2 0 345.462 2.287 10 30 EEEERP C=CCC(C)(C)CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336100424 1336480155 /nfs/dbraw/zinc/48/01/55/1336480155.db2.gz NKFOXJYVBLNZRF-CALCHBBNSA-N 2 0 334.508 2.199 10 30 EEEERP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC001344011351 1337361089 /nfs/dbraw/zinc/36/10/89/1337361089.db2.gz MNMSGSJWKJTLRM-XIRDDKMYSA-N 2 0 349.450 2.080 10 30 EEEERP C=CCC[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001566724333 1342614874 /nfs/dbraw/zinc/61/48/74/1342614874.db2.gz HBQNGIXQRMGDCT-CRAIPNDOSA-N 2 0 325.472 2.259 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001570553109 1343084186 /nfs/dbraw/zinc/08/41/86/1343084186.db2.gz DIFMWMOKZFQHFG-LJQANCHMSA-N 2 0 345.531 2.302 10 30 EEEERP C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]CC#Cc1ccccc1 ZINC001676433499 1357149852 /nfs/dbraw/zinc/14/98/52/1357149852.db2.gz CCNXEQJYYNVRSH-SFHVURJKSA-N 2 0 341.499 2.207 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001676845664 1357218978 /nfs/dbraw/zinc/21/89/78/1357218978.db2.gz MBHZRIHKKPTKDH-FGTMMUONSA-N 2 0 333.520 2.204 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001656176034 1354211381 /nfs/dbraw/zinc/21/13/81/1354211381.db2.gz NIJGOCYAFCOKGX-IZAXUBKRSA-N 2 0 345.462 2.002 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1ccnc1C(C)C ZINC001660468653 1354469386 /nfs/dbraw/zinc/46/93/86/1354469386.db2.gz ZCWYOBCTJYARLB-SJORKVTESA-N 2 0 330.476 2.389 10 30 EEEERP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001664008637 1355073108 /nfs/dbraw/zinc/07/31/08/1355073108.db2.gz KSMVRRHFIGGBIN-OALUTQOASA-N 2 0 340.471 2.123 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC[NH+](CC2CC2)CC1 ZINC001671487087 1356348200 /nfs/dbraw/zinc/34/82/00/1356348200.db2.gz KOWMIGGFBGLWFN-LJQANCHMSA-N 2 0 345.531 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCCC=C)CC1 ZINC001672543373 1356551603 /nfs/dbraw/zinc/55/16/03/1356551603.db2.gz IIPQVRAQXRSSFN-VQTJNVASSA-N 2 0 343.515 2.363 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)C1CC[NH+](C)CC1 ZINC001675966629 1357079032 /nfs/dbraw/zinc/07/90/32/1357079032.db2.gz URUJQVPVXCGWKA-AWEZNQCLSA-N 2 0 348.516 2.336 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2cccc(C)c2)CC1 ZINC001698774280 1405054643 /nfs/dbraw/zinc/05/46/43/1405054643.db2.gz BYPRVTHRAAVUJB-SFHVURJKSA-N 2 0 341.499 2.182 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2csc(C)c2)CC1 ZINC001698859183 1405116078 /nfs/dbraw/zinc/11/60/78/1405116078.db2.gz BHYVGTMFCXMKDQ-HNNXBMFYSA-N 2 0 347.528 2.338 10 30 EEEERP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001699975500 1405616323 /nfs/dbraw/zinc/61/63/23/1405616323.db2.gz DMKLNLFPKSEBEG-XMTFNYHQSA-N 2 0 337.483 2.049 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccsc3)C2)CC1 ZINC000939810780 777427846 /nfs/dbraw/zinc/42/78/46/777427846.db2.gz PGGLENLRYXGFLD-MAUKXSAKSA-N 2 0 345.512 2.030 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccc(C#N)cc1 ZINC001566453028 1125612356 /nfs/dbraw/zinc/61/23/56/1125612356.db2.gz CHMPACCZMWPPOO-LJQANCHMSA-N 2 0 342.487 2.369 10 30 EEEERP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001445496507 1091273903 /nfs/dbraw/zinc/27/39/03/1091273903.db2.gz GGOCGHJENDAQEK-ZIAGYGMSSA-N 2 0 346.313 2.110 10 30 EEEERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001440134960 1093201767 /nfs/dbraw/zinc/20/17/67/1093201767.db2.gz NKWIMIRNHJGHIN-LSDHHAIUSA-N 2 0 348.516 2.146 10 30 EEEERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3C#N)C2)CCC1 ZINC001448504606 1093531970 /nfs/dbraw/zinc/53/19/70/1093531970.db2.gz UXXFMFQMGWZZHH-RZDIXWSQSA-N 2 0 340.471 2.027 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)Cc2cccc(C#N)c2)CC1 ZINC001448549649 1093592001 /nfs/dbraw/zinc/59/20/01/1093592001.db2.gz GAQFQQGDYGAQKG-UHFFFAOYSA-N 2 0 342.487 2.321 10 30 EEEERP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001444061748 1098584199 /nfs/dbraw/zinc/58/41/99/1098584199.db2.gz NVIQAZUWWSAWHE-HNNXBMFYSA-N 2 0 325.884 2.099 10 30 EEEERP C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479831965 1099113681 /nfs/dbraw/zinc/11/36/81/1099113681.db2.gz VBJNTGKARWDSEP-YOEHRIQHSA-N 2 0 348.516 2.431 10 30 EEEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494022549 1103371669 /nfs/dbraw/zinc/37/16/69/1103371669.db2.gz VGCHFKQYMOOSDI-PKOBYXMFSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC001494199540 1103686201 /nfs/dbraw/zinc/68/62/01/1103686201.db2.gz YZOFDMOBSPZAPP-UHFFFAOYSA-N 2 0 330.476 2.120 10 30 EEEERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC#Cc1ccccc1 ZINC001494983445 1104626779 /nfs/dbraw/zinc/62/67/79/1104626779.db2.gz NSYXKAMSSFAMPW-SLFFLAALSA-N 2 0 341.499 2.253 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC001498044943 1106831371 /nfs/dbraw/zinc/83/13/71/1106831371.db2.gz CMWSFVKYUKCTOE-QANKJYHBSA-N 2 0 346.450 2.022 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001501152592 1113216706 /nfs/dbraw/zinc/21/67/06/1113216706.db2.gz AEAMOGNJKJRJHD-GOEBONIOSA-N 2 0 327.900 2.299 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001501188537 1113234592 /nfs/dbraw/zinc/23/45/92/1113234592.db2.gz LUZGPOAEPSYXCI-IYARVYRRSA-N 2 0 345.531 2.254 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCC(C)(C)C)CCC2)CC1 ZINC001502028924 1113564148 /nfs/dbraw/zinc/56/41/48/1113564148.db2.gz FVTZTYURGMXQIL-UHFFFAOYSA-N 2 0 333.520 2.396 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001505921923 1114277882 /nfs/dbraw/zinc/27/78/82/1114277882.db2.gz CCHUWTKNBDHZNO-AYOQOUSVSA-N 2 0 342.487 2.225 10 30 EEEERP CC(C)[C@H](C(=O)N[C@H](C)CCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001506945261 1114993536 /nfs/dbraw/zinc/99/35/36/1114993536.db2.gz TUNTZKLDKHAFPF-UYAOXDASSA-N 2 0 343.515 2.499 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H]([NH2+]CC2CCC2)C(C)C)CC1 ZINC001506994515 1115038512 /nfs/dbraw/zinc/03/85/12/1115038512.db2.gz YUMNVMLEABEONN-LJQANCHMSA-N 2 0 333.520 2.252 10 30 EEEERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001507151860 1115135905 /nfs/dbraw/zinc/13/59/05/1115135905.db2.gz KPGJTSMMQZCTKI-QFBILLFUSA-N 2 0 347.478 2.200 10 30 EEEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001507362658 1115222704 /nfs/dbraw/zinc/22/27/04/1115222704.db2.gz IIKUOSLBZXDTIG-FGTMMUONSA-N 2 0 331.504 2.265 10 30 EEEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC001507445372 1115273373 /nfs/dbraw/zinc/27/33/73/1115273373.db2.gz BEFQGXOYFKSSTO-DNVCBOLYSA-N 2 0 337.483 2.049 10 30 EEEERP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001508118376 1115423088 /nfs/dbraw/zinc/42/30/88/1115423088.db2.gz KBPKCPGFRLCMNV-SOAGJPPSSA-N 2 0 339.483 2.101 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001568118477 1124312269 /nfs/dbraw/zinc/31/22/69/1124312269.db2.gz UNSSBSQLMJBWPB-IBGZPJMESA-N 2 0 327.472 2.290 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC2=CCCCC2)CC1 ZINC001568968712 1125006237 /nfs/dbraw/zinc/00/62/37/1125006237.db2.gz ADSDWWIDHMFXEF-VOTSOKGWSA-N 2 0 329.488 2.094 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCn2cc(C)nc2C1)C(C)C ZINC000371699902 465948921 /nfs/dbraw/zinc/94/89/21/465948921.db2.gz KXBQQJQLHUIKBW-KRWDZBQOSA-N 2 0 345.491 2.415 10 30 EEEERP CC(C)(C#N)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000594497510 468609282 /nfs/dbraw/zinc/60/92/82/468609282.db2.gz CRUPDUANVVSYCZ-QGZVFWFLSA-N 2 0 342.487 2.165 10 30 EEEERP C[N@H+](CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000600714217 468630285 /nfs/dbraw/zinc/63/02/85/468630285.db2.gz KPNCCIRLBFTYMY-IBGZPJMESA-N 2 0 345.487 2.169 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)NCC2CC[NH+](CCC)CC2)CC1 ZINC000106336944 526588027 /nfs/dbraw/zinc/58/80/27/526588027.db2.gz RZLYOKPBWPYQRO-UHFFFAOYSA-N 2 0 336.524 2.448 10 30 EEEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001691114803 1177605473 /nfs/dbraw/zinc/60/54/73/1177605473.db2.gz WSNUZFLFAGSOEE-DAYGRLMNSA-N 2 0 325.472 2.259 10 30 EEEERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001267058569 1178166786 /nfs/dbraw/zinc/16/67/86/1178166786.db2.gz SQAABGLQVIDLPJ-INIZCTEOSA-N 2 0 347.890 2.081 10 30 EEEERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001268014188 1180977214 /nfs/dbraw/zinc/97/72/14/1180977214.db2.gz MVMNUAFSBWZLIY-INIZCTEOSA-N 2 0 347.890 2.129 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]Cc2ccsc2)C(C)C)CC1 ZINC001268228786 1182043931 /nfs/dbraw/zinc/04/39/31/1182043931.db2.gz XIWVVGJEUQINLK-GOSISDBHSA-N 2 0 347.528 2.324 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001268459067 1182727409 /nfs/dbraw/zinc/72/74/09/1182727409.db2.gz NAYGUQFFIYIADR-IBGZPJMESA-N 2 0 345.531 2.493 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)s1 ZINC001268542091 1183213276 /nfs/dbraw/zinc/21/32/76/1183213276.db2.gz OSWJHPCHILGYID-CWIOURORSA-N 2 0 346.500 2.255 10 30 EEEERP CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(CC#Cc2ccccc2Cl)C1 ZINC001269269169 1184121154 /nfs/dbraw/zinc/12/11/54/1184121154.db2.gz UYWPNDVIKBSHFQ-QGZVFWFLSA-N 2 0 347.890 2.176 10 30 EEEERP CCC[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001270568004 1185178407 /nfs/dbraw/zinc/17/84/07/1185178407.db2.gz KFWDFRVJLUHZOU-MRXNPFEDSA-N 2 0 349.906 2.375 10 30 EEEERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001482298371 1185180647 /nfs/dbraw/zinc/18/06/47/1185180647.db2.gz HBHVBOWAMPNSEW-MAUKXSAKSA-N 2 0 349.906 2.468 10 30 EEEERP CC(C)C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)Cn1ccnc1 ZINC001482401095 1185615577 /nfs/dbraw/zinc/61/55/77/1185615577.db2.gz SMHOQWLNKWQAFW-SFHVURJKSA-N 2 0 339.443 2.075 10 30 EEEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001482483719 1186185374 /nfs/dbraw/zinc/18/53/74/1186185374.db2.gz PQCSCKOJKDIRBJ-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001271436762 1186220812 /nfs/dbraw/zinc/22/08/12/1186220812.db2.gz NYUMOGVKBMUVSY-APWZRJJASA-N 2 0 327.472 2.212 10 30 EEEERP CN(CC#Cc1ccc(F)cc1)CCN(C)C(=O)CCCC[NH+](C)C ZINC001482643058 1187473776 /nfs/dbraw/zinc/47/37/76/1187473776.db2.gz CKMYEMGZFXYCDG-UHFFFAOYSA-N 2 0 347.478 2.299 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272784444 1193497067 /nfs/dbraw/zinc/49/70/67/1193497067.db2.gz UXJLFVOPLGHJBU-JJRVBVJISA-N 2 0 346.450 2.022 10 30 EEEERP C#CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001280462205 1188375164 /nfs/dbraw/zinc/37/51/64/1188375164.db2.gz IWVZOISIFFPTNC-MRXNPFEDSA-N 2 0 331.460 2.339 10 30 EEEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1 ZINC001483097890 1188473495 /nfs/dbraw/zinc/47/34/95/1188473495.db2.gz NIANLDAJLGMSNS-MULDZMIYSA-N 2 0 340.471 2.193 10 30 EEEERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001409400618 1189625818 /nfs/dbraw/zinc/62/58/18/1189625818.db2.gz VUDFJJGXORPCRF-ZIAGYGMSSA-N 2 0 346.450 2.164 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]Cc2cccc(F)c2)CC1 ZINC001483512430 1190525762 /nfs/dbraw/zinc/52/57/62/1190525762.db2.gz ZGRSXOTZYRYJGN-UHFFFAOYSA-N 2 0 345.462 2.109 10 30 EEEERP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](CCCC=C)CC1 ZINC001483987673 1191143570 /nfs/dbraw/zinc/14/35/70/1191143570.db2.gz ZIKDMHWSJBBUJT-GOSISDBHSA-N 2 0 331.504 2.221 10 30 EEEERP C#CCN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](CC=C)CC1 ZINC001483989639 1191144580 /nfs/dbraw/zinc/14/45/80/1191144580.db2.gz QPSMBGDOYQBPCT-UHFFFAOYSA-N 2 0 339.483 2.474 10 30 EEEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001484138930 1191229977 /nfs/dbraw/zinc/22/99/77/1191229977.db2.gz SHLWHFOOJRFDTL-MSOLQXFVSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1CC ZINC001484322605 1191304244 /nfs/dbraw/zinc/30/42/44/1191304244.db2.gz APKVOVKUSUWOEL-YVWKXTFCSA-N 2 0 341.499 2.359 10 30 EEEERP C#CCC[N@H+]1CCc2c(CNC(=O)[C@H](C(C)C)[NH+](C)C)cccc2C1 ZINC001484612180 1191437160 /nfs/dbraw/zinc/43/71/60/1191437160.db2.gz MPTLPJCBECTWQZ-FQEVSTJZSA-N 2 0 341.499 2.270 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCCCF)CC1 ZINC001484716496 1191480678 /nfs/dbraw/zinc/48/06/78/1191480678.db2.gz KWIWDQVNQUPALD-MSOLQXFVSA-N 2 0 337.483 2.195 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001484891775 1191566120 /nfs/dbraw/zinc/56/61/20/1191566120.db2.gz LOWGDTQBDVTUSA-YJBOKZPZSA-N 2 0 339.443 2.284 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001486212664 1193752760 /nfs/dbraw/zinc/75/27/60/1193752760.db2.gz MUARGHCNWPTWBZ-AZUAARDMSA-N 2 0 341.499 2.302 10 30 EEEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001691682442 1197488508 /nfs/dbraw/zinc/48/85/08/1197488508.db2.gz JKMDWCDKWDASAW-QZTJIDSGSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000876767322 1199765100 /nfs/dbraw/zinc/76/51/00/1199765100.db2.gz GPQHHFQUHQDIGP-JQFCIGGWSA-N 2 0 335.879 2.483 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(CN2CCOCC2)ccc1C ZINC000876770695 1199766949 /nfs/dbraw/zinc/76/69/49/1199766949.db2.gz PRNKXSFCCCLVJE-OAHLLOKOSA-N 2 0 337.851 2.236 10 30 EEEERP C[NH+](C)CCN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccccc1 ZINC000867943204 1201711112 /nfs/dbraw/zinc/71/11/12/1201711112.db2.gz OVHMGFNAPDGOLZ-FQEVSTJZSA-N 2 0 348.450 2.340 10 30 EEEERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC#Cc1ccccc1Cl ZINC001274252474 1204977522 /nfs/dbraw/zinc/97/75/22/1204977522.db2.gz VKNUKLOINYHHPZ-YJBOKZPZSA-N 2 0 347.890 2.080 10 30 EEEERP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001280593256 1205213209 /nfs/dbraw/zinc/21/32/09/1205213209.db2.gz AECXPRWGUQIOGS-MSOLQXFVSA-N 2 0 339.524 2.258 10 30 EEEERP C#CC[NH+]1CCC(N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001490621788 1291533420 /nfs/dbraw/zinc/53/34/20/1291533420.db2.gz FYHOQCDXADLTPI-UHFFFAOYSA-N 2 0 333.520 2.443 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001277369283 1302697950 /nfs/dbraw/zinc/69/79/50/1302697950.db2.gz VUSZPJPYWDTKSB-MOPGFXCFSA-N 2 0 349.519 2.130 10 30 EEEERP C[N@H+](CCCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001264996849 1322844386 /nfs/dbraw/zinc/84/43/86/1322844386.db2.gz RBDYKSBCNFZSNH-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C[N@@H+](CC#Cc1ccccc1)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001264996512 1322844983 /nfs/dbraw/zinc/84/49/83/1322844983.db2.gz JMNMZRLFTOERRC-HXUWFJFHSA-N 2 0 341.499 2.351 10 30 EEEERP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001265092071 1322916117 /nfs/dbraw/zinc/91/61/17/1322916117.db2.gz NDBPJTBTJGBRDW-APWZRJJASA-N 2 0 331.504 2.101 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001265869933 1323443448 /nfs/dbraw/zinc/44/34/48/1323443448.db2.gz GEIXMAOKWKBLGC-GOSISDBHSA-N 2 0 341.499 2.243 10 30 EEEERP C=CCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)O2 ZINC001280929261 1324646869 /nfs/dbraw/zinc/64/68/69/1324646869.db2.gz CSMIQKYDOUOEKT-QZTJIDSGSA-N 2 0 349.519 2.175 10 30 EEEERP C=CCN1Cc2ccc(CNC(=O)[C@H](F)C[NH+](CC)CC)cc2C1 ZINC001281292401 1324939215 /nfs/dbraw/zinc/93/92/15/1324939215.db2.gz DFAHPUQSIAWHPG-GOSISDBHSA-N 2 0 333.451 2.484 10 30 EEEERP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001282274836 1325674872 /nfs/dbraw/zinc/67/48/72/1325674872.db2.gz PGZQMZHHMHHPQW-ACBHZAAOSA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001282944351 1325845862 /nfs/dbraw/zinc/84/58/62/1325845862.db2.gz AJTCETMXUBJWKG-OTWHNJEPSA-N 2 0 345.531 2.491 10 30 EEEERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001283702983 1326210120 /nfs/dbraw/zinc/21/01/20/1326210120.db2.gz PPNFOHUDVDLICZ-YJBOKZPZSA-N 2 0 349.906 2.468 10 30 EEEERP CC#CC[NH2+]CCc1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001491903852 1330297755 /nfs/dbraw/zinc/29/77/55/1330297755.db2.gz GXAMIYKCSVNWAJ-ROUUACIJSA-N 2 0 341.499 2.331 10 30 EEEERP C#CCC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001317375908 1332203377 /nfs/dbraw/zinc/20/33/77/1332203377.db2.gz OOUKAMXUSCQENO-FQEVSTJZSA-N 2 0 341.499 2.333 10 30 EEEERP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001318205992 1332488290 /nfs/dbraw/zinc/48/82/90/1332488290.db2.gz MJHSJFZIYXEIOZ-IRXDYDNUSA-N 2 0 337.427 2.132 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001318608882 1332567632 /nfs/dbraw/zinc/56/76/32/1332567632.db2.gz ZFQDUWJDRLRGCT-LJQANCHMSA-N 2 0 345.531 2.396 10 30 EEEERP C[C@H]([NH2+]CC#Cc1ccccc1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001325437862 1333885946 /nfs/dbraw/zinc/88/59/46/1333885946.db2.gz MEATZXAYTGRDOK-ICSRJNTNSA-N 2 0 341.499 2.207 10 30 EEEERP C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001328467847 1334463501 /nfs/dbraw/zinc/46/35/01/1334463501.db2.gz HEMCQSUKLWKGIY-FQEVSTJZSA-N 2 0 341.499 2.457 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001328797468 1334523616 /nfs/dbraw/zinc/52/36/16/1334523616.db2.gz NTZBUWMEMNSXBB-OALUTQOASA-N 2 0 333.520 2.443 10 30 EEEERP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001330539333 1334866962 /nfs/dbraw/zinc/86/69/62/1334866962.db2.gz UZMDCEOIGUXAKH-BGYRXZFFSA-N 2 0 331.504 2.056 10 30 EEEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001331323155 1334996341 /nfs/dbraw/zinc/99/63/41/1334996341.db2.gz CCMNKDREOWOKNU-HXUWFJFHSA-N 2 0 341.499 2.254 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001502546239 1342208640 /nfs/dbraw/zinc/20/86/40/1342208640.db2.gz QCSNYSXXPQYPJO-QGZVFWFLSA-N 2 0 339.911 2.395 10 30 EEEERP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001566879543 1342647119 /nfs/dbraw/zinc/64/71/19/1342647119.db2.gz OPZQFFILMOUZAE-IEBWSBKVSA-N 2 0 327.472 2.141 10 30 EEEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001675919316 1357070115 /nfs/dbraw/zinc/07/01/15/1357070115.db2.gz GKWZEPCRTBYUSB-HNNXBMFYSA-N 2 0 327.900 2.489 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC2CCCCCC2)CC1 ZINC001567324329 1342740708 /nfs/dbraw/zinc/74/07/08/1342740708.db2.gz KJSLAHVPHALNPF-UHFFFAOYSA-N 2 0 333.520 2.350 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CCCCCC)C2)CC1 ZINC001570863290 1343125015 /nfs/dbraw/zinc/12/50/15/1343125015.db2.gz BRNPIEFFCRXDHG-KRWDZBQOSA-N 2 0 333.520 2.348 10 30 EEEERP C[C@@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC001571480108 1343217071 /nfs/dbraw/zinc/21/70/71/1343217071.db2.gz ZTKUHSVUWORRHL-MJGOQNOKSA-N 2 0 339.483 2.101 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CC=C(Cl)Cl)CC1 ZINC001676487902 1357156691 /nfs/dbraw/zinc/15/66/91/1357156691.db2.gz LGFYYBMHDYDKTG-CYBMUJFWSA-N 2 0 346.302 2.087 10 30 EEEERP C=C(C[NH+](C)C)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC001596947970 1349914644 /nfs/dbraw/zinc/91/46/44/1349914644.db2.gz NQJUINHTHLPATJ-UHFFFAOYSA-N 2 0 330.476 2.273 10 30 EEEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001649458977 1353516863 /nfs/dbraw/zinc/51/68/63/1353516863.db2.gz RBINJRNGDFFSRH-MOPGFXCFSA-N 2 0 349.519 2.177 10 30 EEEERP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001656625579 1354253592 /nfs/dbraw/zinc/25/35/92/1354253592.db2.gz UPGQJCRWUDDILB-IEBWSBKVSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666458811 1355529145 /nfs/dbraw/zinc/52/91/45/1355529145.db2.gz VQRNJXKLYVPCOJ-CRAIPNDOSA-N 2 0 325.472 2.356 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001667750910 1355805906 /nfs/dbraw/zinc/80/59/06/1355805906.db2.gz FLTJQMHMIBJDJT-WOJBJXKFSA-N 2 0 341.499 2.302 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001668267777 1355912451 /nfs/dbraw/zinc/91/24/51/1355912451.db2.gz MMRSRKQEILPAHH-AWEZNQCLSA-N 2 0 327.900 2.345 10 30 EEEERP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCCC=C)CC1 ZINC001671487201 1356348357 /nfs/dbraw/zinc/34/83/57/1356348357.db2.gz LSVFKHHVNOUQQR-UHFFFAOYSA-N 2 0 331.504 2.221 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCCCC)CC1 ZINC001671504118 1356351765 /nfs/dbraw/zinc/35/17/65/1356351765.db2.gz OOSPMDVGTQWPHN-SFHVURJKSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CCCC)CC1 ZINC001671500477 1356351803 /nfs/dbraw/zinc/35/18/03/1356351803.db2.gz YEPNWIHDIRGHSN-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001672368808 1356510195 /nfs/dbraw/zinc/51/01/95/1356510195.db2.gz IWFCTYCKGVTJTG-GUDVDZBRSA-N 2 0 333.520 2.396 10 30 EEEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001672929695 1356617372 /nfs/dbraw/zinc/61/73/72/1356617372.db2.gz PUKNBEMJUIXPIB-PMACEKPBSA-N 2 0 339.483 2.385 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC)([NH2+]CCCF)CC2)CC1 ZINC001673626089 1356719844 /nfs/dbraw/zinc/71/98/44/1356719844.db2.gz YUHDLEBRWOYDPS-UHFFFAOYSA-N 2 0 337.483 2.052 10 30 EEEERP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001673645354 1356725346 /nfs/dbraw/zinc/72/53/46/1356725346.db2.gz JGQAYCGZSBBMQE-PKOBYXMFSA-N 2 0 337.483 2.004 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](CC)CC(=C)C)CC2)CC1 ZINC001674353470 1356823002 /nfs/dbraw/zinc/82/30/02/1356823002.db2.gz NLYZTWITRFNINJ-UHFFFAOYSA-N 2 0 345.531 2.468 10 30 EEEERP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001675698239 1357039330 /nfs/dbraw/zinc/03/93/30/1357039330.db2.gz SVXJMTFJHROPDB-OYRHEFFESA-N 2 0 345.531 2.446 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001675916008 1357069413 /nfs/dbraw/zinc/06/94/13/1357069413.db2.gz RHWTUGMEXSCARJ-MRXNPFEDSA-N 2 0 342.487 2.417 10 30 EEEERP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001698952857 1405183280 /nfs/dbraw/zinc/18/32/80/1405183280.db2.gz MHWUIYMVVUJDDG-OALUTQOASA-N 2 0 333.520 2.493 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699116318 1405271515 /nfs/dbraw/zinc/27/15/15/1405271515.db2.gz WXWODSXAFDEACN-KBXCAEBGSA-N 2 0 346.450 2.166 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC3CCCCC3)[C@@H](C)C2)CC1 ZINC000939813321 777430941 /nfs/dbraw/zinc/43/09/41/777430941.db2.gz ZICOVFHQFOTWAY-PXNSSMCTSA-N 2 0 345.531 2.348 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000917137078 798112444 /nfs/dbraw/zinc/11/24/44/798112444.db2.gz KSFRWNVHKDXEMZ-SFHVURJKSA-N 2 0 345.491 2.024 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001565995446 1125492540 /nfs/dbraw/zinc/49/25/40/1125492540.db2.gz RRUXROKMLXNJDR-HOJAQTOUSA-N 2 0 345.531 2.491 10 30 EEEERP C=C(Br)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001437020927 1088812865 /nfs/dbraw/zinc/81/28/65/1088812865.db2.gz LFWFOXYPVBEYCO-UONOGXRCSA-N 2 0 346.313 2.063 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)[C@H](C)C1 ZINC001440654827 1093927584 /nfs/dbraw/zinc/92/75/84/1093927584.db2.gz XZOXMBNGQRHIQX-VQIMIIECSA-N 2 0 342.487 2.368 10 30 EEEERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CN1C(=O)CCC[NH+](C)C ZINC001441828629 1095883343 /nfs/dbraw/zinc/88/33/43/1095883343.db2.gz BMGWMNVOONOMMN-RHSMWYFYSA-N 2 0 346.450 2.118 10 30 EEEERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001442321357 1096640355 /nfs/dbraw/zinc/64/03/55/1096640355.db2.gz OBPSCHJZRAZFMQ-GDBMZVCRSA-N 2 0 346.450 2.024 10 30 EEEERP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479598156 1098625119 /nfs/dbraw/zinc/62/51/19/1098625119.db2.gz XBCWIOZZBRRPNL-QZTJIDSGSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001479624736 1098649387 /nfs/dbraw/zinc/64/93/87/1098649387.db2.gz CTSJXIUJMYYZCR-LSDHHAIUSA-N 2 0 347.425 2.275 10 30 EEEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001479690074 1098752675 /nfs/dbraw/zinc/75/26/75/1098752675.db2.gz XTDOZLDYKMWAPG-GOSISDBHSA-N 2 0 331.504 2.247 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444609365 1099436014 /nfs/dbraw/zinc/43/60/14/1099436014.db2.gz COWLPYGXHSKREA-LPHOPBHVSA-N 2 0 342.487 2.369 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C1CC[NH+](C)CC1 ZINC001497261062 1102214091 /nfs/dbraw/zinc/21/40/91/1102214091.db2.gz AFLMBVRIIPEZHS-AWEZNQCLSA-N 2 0 346.450 2.024 10 30 EEEERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC001494999749 1104641679 /nfs/dbraw/zinc/64/16/79/1104641679.db2.gz AWBUZQVDZFAPOP-NVXWUHKLSA-N 2 0 334.439 2.022 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC(=C)C)C2)CC1 ZINC001480711714 1106936395 /nfs/dbraw/zinc/93/63/95/1106936395.db2.gz ZUKYYNWFWWERHI-RTBURBONSA-N 2 0 331.504 2.315 10 30 EEEERP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001478519409 1110655231 /nfs/dbraw/zinc/65/52/31/1110655231.db2.gz AQVPZSDTJAHLFY-UHFFFAOYSA-N 2 0 348.535 2.287 10 30 EEEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1CC ZINC001501022313 1113171139 /nfs/dbraw/zinc/17/11/39/1113171139.db2.gz OBLAIVODZVLDGM-RBUKOAKNSA-N 2 0 329.488 2.215 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001501153694 1113217352 /nfs/dbraw/zinc/21/73/52/1113217352.db2.gz UCJHWVZMCWNXBP-QUCCMNQESA-N 2 0 347.547 2.452 10 30 EEEERP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001501156198 1113218114 /nfs/dbraw/zinc/21/81/14/1113218114.db2.gz NBEBDFSEJFMCRN-CVEARBPZSA-N 2 0 331.460 2.052 10 30 EEEERP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001501394715 1113340872 /nfs/dbraw/zinc/34/08/72/1113340872.db2.gz JJEOYWZYCPAPGI-ROUUACIJSA-N 2 0 331.504 2.197 10 30 EEEERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001505528015 1114035888 /nfs/dbraw/zinc/03/58/88/1114035888.db2.gz CEPGARAQWLSWRH-UHFFFAOYSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001507361828 1115222457 /nfs/dbraw/zinc/22/24/57/1115222457.db2.gz DCWGVNNEDXJKJD-OKZBNKHCSA-N 2 0 331.504 2.265 10 30 EEEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001568118092 1124311687 /nfs/dbraw/zinc/31/16/87/1124311687.db2.gz FVZZQVJGQZDFBF-IBGZPJMESA-N 2 0 327.472 2.310 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001568536753 1124598308 /nfs/dbraw/zinc/59/83/08/1124598308.db2.gz LVZFTBAYZKNJAR-IEBWSBKVSA-N 2 0 345.462 2.003 10 30 EEEERP COc1ccc(C#N)cc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000159936657 533268059 /nfs/dbraw/zinc/26/80/59/533268059.db2.gz DNRXGMLYOYUUHO-HNNXBMFYSA-N 2 0 331.460 2.091 10 30 EEEERP COCC1(C)CC[NH+](CC#CC[NH+]2CCC(C)(COC)CC2)CC1 ZINC000341910559 465274198 /nfs/dbraw/zinc/27/41/98/465274198.db2.gz SHRFEAAYNASPGM-UHFFFAOYSA-N 2 0 336.520 2.487 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000119454119 462903048 /nfs/dbraw/zinc/90/30/48/462903048.db2.gz GRJHDTNEBFHWHN-UHFFFAOYSA-N 2 0 336.524 2.447 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000594441902 468589571 /nfs/dbraw/zinc/58/95/71/468589571.db2.gz YAWMDXCBIKMZSO-SFHVURJKSA-N 2 0 328.460 2.310 10 30 EEEERP C=CC[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000638799705 471224171 /nfs/dbraw/zinc/22/41/71/471224171.db2.gz FSMOIRFUEXXNHV-QUCCMNQESA-N 2 0 327.472 2.323 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659034582 471477984 /nfs/dbraw/zinc/47/79/84/471477984.db2.gz OSESFEZAKZQWME-GOSISDBHSA-N 2 0 344.459 2.119 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106918555 526598061 /nfs/dbraw/zinc/59/80/61/526598061.db2.gz HSLVIRMGHBGAHX-LJQANCHMSA-N 2 0 329.488 2.316 10 30 EEEERP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261992288 677743019 /nfs/dbraw/zinc/74/30/19/677743019.db2.gz ROYLLKWZMHOJNC-QXDIGNSFSA-N 2 0 348.535 2.228 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000899970282 693947849 /nfs/dbraw/zinc/94/78/49/693947849.db2.gz VRDCXYZSGUFQLM-IBGZPJMESA-N 2 0 345.487 2.456 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001267042183 1178137612 /nfs/dbraw/zinc/13/76/12/1178137612.db2.gz XCSRSCBANMWHRY-ROUUACIJSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC=C(C)C)C2)CC1 ZINC001267093662 1178225336 /nfs/dbraw/zinc/22/53/36/1178225336.db2.gz MXNHBHDSABFDDU-RTBURBONSA-N 2 0 331.504 2.315 10 30 EEEERP C=CCC[NH2+]CCc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001267097896 1178234000 /nfs/dbraw/zinc/23/40/00/1178234000.db2.gz VYXMLCMPPNZRJF-UHFFFAOYSA-N 2 0 329.488 2.353 10 30 EEEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001267223363 1178534305 /nfs/dbraw/zinc/53/43/05/1178534305.db2.gz ZJKQWRFDADZYOY-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001481514855 1181619892 /nfs/dbraw/zinc/61/98/92/1181619892.db2.gz RJTNLRJTYBSZBJ-LJQANCHMSA-N 2 0 331.504 2.197 10 30 EEEERP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC#Cc1ccccc1 ZINC001268214534 1182023678 /nfs/dbraw/zinc/02/36/78/1182023678.db2.gz YCSQGXUZOHLGGJ-LJQANCHMSA-N 2 0 341.499 2.253 10 30 EEEERP CC[C@H](C(=O)N(CC)[C@@H]1CCN(CC#Cc2ccccc2)C1)[NH+](C)C ZINC001481776936 1182674268 /nfs/dbraw/zinc/67/42/68/1182674268.db2.gz CCKRESDZEOSDOP-WOJBJXKFSA-N 2 0 341.499 2.301 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCCC=C)CC2)CC1 ZINC001482027730 1183156754 /nfs/dbraw/zinc/15/67/54/1183156754.db2.gz NFMMDIPMEDJJES-WGSAOQKQSA-N 2 0 331.504 2.315 10 30 EEEERP C#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001269615182 1184439322 /nfs/dbraw/zinc/43/93/22/1184439322.db2.gz PFYOHNDZYCAHLD-JXFKEZNVSA-N 2 0 331.504 2.149 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCCC1 ZINC001482364141 1185518225 /nfs/dbraw/zinc/51/82/25/1185518225.db2.gz BVXPXJBIARQHIO-INIZCTEOSA-N 2 0 347.890 2.224 10 30 EEEERP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001482458194 1185906354 /nfs/dbraw/zinc/90/63/54/1185906354.db2.gz APMXOZHNMSHTDK-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC=C(C)C)CC(C)C)CC1 ZINC001271316712 1186136482 /nfs/dbraw/zinc/13/64/82/1186136482.db2.gz ITWKLSZPHIKTOG-IBGZPJMESA-N 2 0 333.520 2.418 10 30 EEEERP C=CCOCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001272053549 1187287537 /nfs/dbraw/zinc/28/75/37/1187287537.db2.gz NOYLSOOBCUIZKV-GUDVDZBRSA-N 2 0 349.519 2.129 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482888316 1187814581 /nfs/dbraw/zinc/81/45/81/1187814581.db2.gz IUDPFUPAGCRGME-GJZGRUSLSA-N 2 0 346.450 2.024 10 30 EEEERP CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001409270099 1188452417 /nfs/dbraw/zinc/45/24/17/1188452417.db2.gz DLARLBXYKNONIM-PVARCSIZSA-N 2 0 346.450 2.022 10 30 EEEERP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)CCCC[NH+](C)C ZINC001486092995 1193679192 /nfs/dbraw/zinc/67/91/92/1193679192.db2.gz SLCAKGDNRGLXKV-VQIMIIECSA-N 2 0 342.487 2.369 10 30 EEEERP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCOCC1 ZINC001484864677 1191555128 /nfs/dbraw/zinc/55/51/28/1191555128.db2.gz KSPXZCJQRHFMJL-QZTJIDSGSA-N 2 0 349.519 2.225 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485081584 1191650302 /nfs/dbraw/zinc/65/03/02/1191650302.db2.gz GBAZPRALBHTHNX-JKSUJKDBSA-N 2 0 327.900 2.251 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC=C)[C@H]2C)CC1 ZINC001486185851 1193726905 /nfs/dbraw/zinc/72/69/05/1193726905.db2.gz DQWJSLCDRCJJJO-PKOBYXMFSA-N 2 0 331.504 2.267 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000877133515 1199867313 /nfs/dbraw/zinc/86/73/13/1199867313.db2.gz DQXLKRPUNUCFMA-XKQJLSEDSA-N 2 0 335.879 2.341 10 30 EEEERP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000867979287 1201718874 /nfs/dbraw/zinc/71/88/74/1201718874.db2.gz CIUGUDWIAUNNDJ-VQTJNVASSA-N 2 0 348.450 2.341 10 30 EEEERP C#CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001691726950 1204226897 /nfs/dbraw/zinc/22/68/97/1204226897.db2.gz RLXGMQVEIUSBKL-GOSISDBHSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC/C=C/CC)[C@@H](C)C2)CC1 ZINC001274300079 1204990423 /nfs/dbraw/zinc/99/04/23/1204990423.db2.gz WCKJVIQTCXIDGO-XZJTZLQGSA-N 2 0 331.504 2.124 10 30 EEEERP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001275182995 1205276250 /nfs/dbraw/zinc/27/62/50/1205276250.db2.gz AWILKACSMXAXIG-VQTJNVASSA-N 2 0 345.531 2.446 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001491261340 1258860239 /nfs/dbraw/zinc/86/02/39/1258860239.db2.gz QOFZOONOLYACDH-IBGZPJMESA-N 2 0 345.462 2.100 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H](C)[NH2+]CCC=C)CC1 ZINC001490309542 1291181049 /nfs/dbraw/zinc/18/10/49/1291181049.db2.gz KZLXTKCTAKDDKS-HKUYNNGSSA-N 2 0 331.504 2.267 10 30 EEEERP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852856310 1292216242 /nfs/dbraw/zinc/21/62/42/1292216242.db2.gz YOQYKFCWVCZKJB-UHFFFAOYSA-N 2 0 347.528 2.422 10 30 EEEERP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001276838828 1299863842 /nfs/dbraw/zinc/86/38/42/1299863842.db2.gz BZSNDQGRBCBORC-FHWLQOOXSA-N 2 0 331.504 2.102 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001277020480 1300902135 /nfs/dbraw/zinc/90/21/35/1300902135.db2.gz UELODCBFYMGNDH-QGZVFWFLSA-N 2 0 345.874 2.024 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277265023 1302076152 /nfs/dbraw/zinc/07/61/52/1302076152.db2.gz WKMQXRVBVJAOMF-KBXCAEBGSA-N 2 0 346.450 2.166 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278668287 1317612281 /nfs/dbraw/zinc/61/22/81/1317612281.db2.gz MXNOYZNNLQXJLL-IBGZPJMESA-N 2 0 349.519 2.036 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001278677188 1317684201 /nfs/dbraw/zinc/68/42/01/1317684201.db2.gz FLSVNRRBHFIMHH-NRFANRHFSA-N 2 0 341.499 2.208 10 30 EEEERP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001278964208 1318854118 /nfs/dbraw/zinc/85/41/18/1318854118.db2.gz OWYIRPIJJKKGLN-LJQANCHMSA-N 2 0 333.520 2.302 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCCC=C)CC[C@@H]3C2)CC1 ZINC001264100850 1322620059 /nfs/dbraw/zinc/62/00/59/1322620059.db2.gz JRAAIBTWFSAUDO-UXHICEINSA-N 2 0 343.515 2.078 10 30 EEEERP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001264680322 1322781715 /nfs/dbraw/zinc/78/17/15/1322781715.db2.gz WDLXJCXQOVGBIM-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001281088259 1324758772 /nfs/dbraw/zinc/75/87/72/1324758772.db2.gz RIGUXFQKSXJVEQ-WMZOPIPTSA-N 2 0 325.472 2.167 10 30 EEEERP C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001284013115 1326362446 /nfs/dbraw/zinc/36/24/46/1326362446.db2.gz HANMKSMTEOTLHQ-LPHOPBHVSA-N 2 0 345.487 2.143 10 30 EEEERP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001284929841 1326781401 /nfs/dbraw/zinc/78/14/01/1326781401.db2.gz NWBNGVIHYZTIIB-QGZVFWFLSA-N 2 0 328.460 2.160 10 30 EEEERP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001316718988 1331860267 /nfs/dbraw/zinc/86/02/67/1331860267.db2.gz FWPYGUZBUKQDJT-VAMGGRTRSA-N 2 0 341.499 2.324 10 30 EEEERP C[N@@H+](CC#Cc1ccc(Cl)cc1)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001316844037 1331929394 /nfs/dbraw/zinc/92/93/94/1331929394.db2.gz XNDWEWNPCNCNOE-GOSISDBHSA-N 2 0 347.890 2.224 10 30 EEEERP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC#Cc1ccccc1 ZINC001317395179 1332212800 /nfs/dbraw/zinc/21/28/00/1332212800.db2.gz FWDUZXWIZIRCTF-KRWDZBQOSA-N 2 0 327.472 2.007 10 30 EEEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001317682629 1332369879 /nfs/dbraw/zinc/36/98/79/1332369879.db2.gz MQEFXSPLRVQXTP-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317769854 1332402848 /nfs/dbraw/zinc/40/28/48/1332402848.db2.gz LVPDXVNRJKRHCB-IBGZPJMESA-N 2 0 333.520 2.443 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]CC#Cc1ccccc1 ZINC001319774728 1332764273 /nfs/dbraw/zinc/76/42/73/1332764273.db2.gz NKBGBZSVHNLJOA-FQEVSTJZSA-N 2 0 341.499 2.351 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320465573 1332890768 /nfs/dbraw/zinc/89/07/68/1332890768.db2.gz ZFAZAQAIDWFPRE-CZUORRHYSA-N 2 0 334.489 2.088 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001321992142 1333191828 /nfs/dbraw/zinc/19/18/28/1333191828.db2.gz VTUDAYFEHGHKTP-HOTGVXAUSA-N 2 0 347.890 2.128 10 30 EEEERP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001324432036 1333681610 /nfs/dbraw/zinc/68/16/10/1333681610.db2.gz NZBASBFKRUNELR-AZUAARDMSA-N 2 0 343.515 2.056 10 30 EEEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001325766842 1333956858 /nfs/dbraw/zinc/95/68/58/1333956858.db2.gz RLYHPRDNOULCPQ-YTQUADARSA-N 2 0 333.520 2.463 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001326365122 1334076843 /nfs/dbraw/zinc/07/68/43/1334076843.db2.gz NMIKGNDGZXUWGR-FQEVSTJZSA-N 2 0 341.499 2.012 10 30 EEEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)O2 ZINC001327359153 1334276014 /nfs/dbraw/zinc/27/60/14/1334276014.db2.gz LKKMRIUCHNYTKH-IAGOWNOFSA-N 2 0 349.519 2.175 10 30 EEEERP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001330487015 1334856123 /nfs/dbraw/zinc/85/61/23/1334856123.db2.gz UALVNIVCSIRCFW-SFHVURJKSA-N 2 0 331.504 2.219 10 30 EEEERP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001567150716 1342702122 /nfs/dbraw/zinc/70/21/22/1342702122.db2.gz IIJOXDXNBZDCPO-FQEVSTJZSA-N 2 0 341.499 2.208 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC001675964488 1357078430 /nfs/dbraw/zinc/07/84/30/1357078430.db2.gz QBUMPRNEMIFAOU-MSOLQXFVSA-N 2 0 336.524 2.421 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1F ZINC001567611957 1342794220 /nfs/dbraw/zinc/79/42/20/1342794220.db2.gz ZXCZTHJUKRNIQY-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001570811734 1343116487 /nfs/dbraw/zinc/11/64/87/1343116487.db2.gz IWALERBLRXWSSW-INIZCTEOSA-N 2 0 339.443 2.169 10 30 EEEERP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001571512852 1343225074 /nfs/dbraw/zinc/22/50/74/1343225074.db2.gz LJFPHITVKQWULT-CEXWTWQISA-N 2 0 331.504 2.102 10 30 EEEERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001676461093 1357153400 /nfs/dbraw/zinc/15/34/00/1357153400.db2.gz CZKRBCWFKLIOEB-CRAIPNDOSA-N 2 0 349.906 2.468 10 30 EEEERP C#CCC[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001677587190 1357363953 /nfs/dbraw/zinc/36/39/53/1357363953.db2.gz YUNLJCXFTBCPHG-UHFFFAOYSA-N 2 0 331.504 2.270 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001656240661 1354218399 /nfs/dbraw/zinc/21/83/99/1354218399.db2.gz ASPXOZNNELMIGF-SAABIXHNSA-N 2 0 333.520 2.252 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001661511637 1354647694 /nfs/dbraw/zinc/64/76/94/1354647694.db2.gz QSYYFJGJAVZNRC-WGSAOQKQSA-N 2 0 331.504 2.149 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001668092142 1355868142 /nfs/dbraw/zinc/86/81/42/1355868142.db2.gz KASGYBGSXGFOOM-HNNXBMFYSA-N 2 0 328.460 2.027 10 30 EEEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001672388787 1356513912 /nfs/dbraw/zinc/51/39/12/1356513912.db2.gz PRIMKYLWXHUDJP-IBGZPJMESA-N 2 0 327.472 2.111 10 30 EEEERP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001674429715 1356830686 /nfs/dbraw/zinc/83/06/86/1356830686.db2.gz TVZYAVZNGWZKKR-UYAOXDASSA-N 2 0 327.472 2.420 10 30 EEEERP C=CCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C[N@@H+](C)C1CCC1)CC2 ZINC001675701623 1357040493 /nfs/dbraw/zinc/04/04/93/1357040493.db2.gz HPPIDVQJMJFOMP-GOSISDBHSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001681598366 1358038313 /nfs/dbraw/zinc/03/83/13/1358038313.db2.gz VCITYNDNSPNNAY-IBGZPJMESA-N 2 0 348.535 2.285 10 30 EEEERP CN(CCC#N)c1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000125930769 776701972 /nfs/dbraw/zinc/70/19/72/776701972.db2.gz AWADHWVUSSAUTO-UHFFFAOYSA-N 2 0 330.476 2.238 10 30 EEEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857937 779445622 /nfs/dbraw/zinc/44/56/22/779445622.db2.gz HGNCYDLFPNYMKF-ROUUACIJSA-N 2 0 333.520 2.347 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000921959368 798388203 /nfs/dbraw/zinc/38/82/03/798388203.db2.gz WMRSZUFZNWMIBO-LJQANCHMSA-N 2 0 342.487 2.417 10 30 EEEERP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001565986611 1125484205 /nfs/dbraw/zinc/48/42/05/1125484205.db2.gz GYENEHKAAGUTLX-IEBWSBKVSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001437163546 1089177657 /nfs/dbraw/zinc/17/76/57/1089177657.db2.gz NAXYLGCVDPDIGU-KBPBESRZSA-N 2 0 346.313 2.110 10 30 EEEERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001437370070 1089609767 /nfs/dbraw/zinc/60/97/67/1089609767.db2.gz DTNFRUNDGLIHET-JJRVBVJISA-N 2 0 346.450 2.022 10 30 EEEERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001439182772 1091831002 /nfs/dbraw/zinc/83/10/02/1091831002.db2.gz UARLCXOGSOMBFG-RHSMWYFYSA-N 2 0 348.516 2.334 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001440475237 1093702921 /nfs/dbraw/zinc/70/29/21/1093702921.db2.gz SHQNISXRQNCEAI-OAHLLOKOSA-N 2 0 348.516 2.432 10 30 EEEERP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001440843238 1094100177 /nfs/dbraw/zinc/10/01/77/1094100177.db2.gz YGTOBZKLMKOHNP-IRXDYDNUSA-N 2 0 342.487 2.273 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001442261131 1096564782 /nfs/dbraw/zinc/56/47/82/1096564782.db2.gz RSXWQGAHHSHLIS-UHFFFAOYSA-N 2 0 346.450 2.117 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001479835102 1099118777 /nfs/dbraw/zinc/11/87/77/1099118777.db2.gz UNCWXSNRALYDQE-QFBILLFUSA-N 2 0 327.472 2.354 10 30 EEEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001480148605 1099717795 /nfs/dbraw/zinc/71/77/95/1099717795.db2.gz FJRUDLFFLBMOAD-SHTZXODSSA-N 2 0 325.416 2.084 10 30 EEEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001495394292 1101114655 /nfs/dbraw/zinc/11/46/55/1101114655.db2.gz WVNXIPOOMQQLJY-OALUTQOASA-N 2 0 333.520 2.348 10 30 EEEERP CCN(CC[NH2+]Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001497417783 1102458892 /nfs/dbraw/zinc/45/88/92/1102458892.db2.gz LPNCJTIPKNCOMC-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001447860162 1103464879 /nfs/dbraw/zinc/46/48/79/1103464879.db2.gz AYVSJAPZLGURMX-HUUCEWRRSA-N 2 0 328.460 2.025 10 30 EEEERP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001494215126 1103711550 /nfs/dbraw/zinc/71/15/50/1103711550.db2.gz XKGVIMLXWZJENL-LJQANCHMSA-N 2 0 333.520 2.301 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1CC)C(C)C ZINC001467659895 1110461097 /nfs/dbraw/zinc/46/10/97/1110461097.db2.gz BPGVFWBAXQVRHX-MSOLQXFVSA-N 2 0 336.524 2.421 10 30 EEEERP C=C(C)C[C@H](CO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001474247043 1110591396 /nfs/dbraw/zinc/59/13/96/1110591396.db2.gz OIGCCVFZBZJZNC-CQSZACIVSA-N 2 0 342.386 2.486 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CC3CC(C)C3)C2)CC1 ZINC001501652018 1113416102 /nfs/dbraw/zinc/41/61/02/1113416102.db2.gz VNVVUVKLTNXQIC-JLAWEPINSA-N 2 0 345.531 2.206 10 30 EEEERP C#CCC[NH2+]CC1(c2ccccc2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001502848158 1113833310 /nfs/dbraw/zinc/83/33/10/1113833310.db2.gz IDJQPYKCNKQADP-UHFFFAOYSA-N 2 0 341.499 2.111 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001507161788 1115141878 /nfs/dbraw/zinc/14/18/78/1115141878.db2.gz MPMAEZRLBXVTIT-KGLIPLIRSA-N 2 0 346.313 2.206 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001507358782 1115219979 /nfs/dbraw/zinc/21/99/79/1115219979.db2.gz VGQNOZCIHWKXNU-CEXWTWQISA-N 2 0 345.531 2.491 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001568094843 1124299059 /nfs/dbraw/zinc/29/90/59/1124299059.db2.gz QKHHRZOCEJGKKU-RBUKOAKNSA-N 2 0 331.504 2.245 10 30 EEEERP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001568224671 1124368908 /nfs/dbraw/zinc/36/89/08/1124368908.db2.gz ICKZPMCLPMCPDQ-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001568437621 1124505734 /nfs/dbraw/zinc/50/57/34/1124505734.db2.gz BTZANNZUYLRXAE-MOPGFXCFSA-N 2 0 331.504 2.197 10 30 EEEERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001568951148 1124986132 /nfs/dbraw/zinc/98/61/32/1124986132.db2.gz OVNMGJXTZZQKOU-XFHJGTJQSA-N 2 0 346.450 2.046 10 30 EEEERP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1F ZINC000423372960 466730977 /nfs/dbraw/zinc/73/09/77/466730977.db2.gz BRDGOTOTSDNOOG-IAQYHMDHSA-N 2 0 344.356 2.184 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000594439153 468587469 /nfs/dbraw/zinc/58/74/69/468587469.db2.gz SUPOOBAHHYEGCI-RBUKOAKNSA-N 2 0 342.487 2.078 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602574572 469366447 /nfs/dbraw/zinc/36/64/47/469366447.db2.gz BNTQLUAGQDRSEG-ZWKOTPCHSA-N 2 0 328.460 2.036 10 30 EEEERP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000662738687 472228532 /nfs/dbraw/zinc/22/85/32/472228532.db2.gz YPVGALISAWRUDG-QUCCMNQESA-N 2 0 327.472 2.466 10 30 EEEERP C=CC[C@@]1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662744993 472231777 /nfs/dbraw/zinc/23/17/77/472231777.db2.gz CJECCBZAZSCHTD-QUCCMNQESA-N 2 0 327.472 2.418 10 30 EEEERP CC[NH+]=C(NCCc1c(C)noc1C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262825596 688545049 /nfs/dbraw/zinc/54/50/49/688545049.db2.gz YFPGPIFLBIQJJJ-ALOPSCKCSA-N 2 0 347.507 2.404 10 30 EEEERP C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001266247173 1176018783 /nfs/dbraw/zinc/01/87/83/1176018783.db2.gz FDXWAQXGLWSRKC-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001691410176 1178015615 /nfs/dbraw/zinc/01/56/15/1178015615.db2.gz OFRDNOQHLCVFAW-IEBWSBKVSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001266994042 1178050719 /nfs/dbraw/zinc/05/07/19/1178050719.db2.gz IIQLXWRKOFNCEL-QGZVFWFLSA-N 2 0 345.531 2.396 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)C/C=C/Cl)C2)CC1 ZINC001267115499 1178277834 /nfs/dbraw/zinc/27/78/34/1178277834.db2.gz VJCHPLCQEILJLD-MPNRVQBSSA-N 2 0 337.895 2.007 10 30 EEEERP CCC[N@@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)CC[NH+](C)C ZINC001481145778 1179914740 /nfs/dbraw/zinc/91/47/40/1179914740.db2.gz OJAGHJDRMGTDFC-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP CN(C(=O)C1([NH+](C)C)CCC1)[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001267767328 1180454314 /nfs/dbraw/zinc/45/43/14/1180454314.db2.gz PCJDRXNTZTYKDJ-IBGZPJMESA-N 2 0 339.483 2.055 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001267832255 1180603265 /nfs/dbraw/zinc/60/32/65/1180603265.db2.gz ZASGRFQKLPSXJH-LTBFUDJGSA-N 2 0 346.302 2.135 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001268024570 1181035262 /nfs/dbraw/zinc/03/52/62/1181035262.db2.gz IQJZIDODPAMTSY-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001481520004 1181631641 /nfs/dbraw/zinc/63/16/41/1181631641.db2.gz YZPQQXYHOFWNHP-MOPGFXCFSA-N 2 0 331.504 2.197 10 30 EEEERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ccc(C#N)s1 ZINC001481880827 1182863863 /nfs/dbraw/zinc/86/38/63/1182863863.db2.gz HQYWINGWXMPXBG-PBHICJAKSA-N 2 0 348.516 2.479 10 30 EEEERP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001481941595 1183000773 /nfs/dbraw/zinc/00/07/73/1183000773.db2.gz VBFPICLTNOXGJG-MOPGFXCFSA-N 2 0 337.483 2.097 10 30 EEEERP C=CCOCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001269593018 1184416775 /nfs/dbraw/zinc/41/67/75/1184416775.db2.gz LUEFRAFLUQQGEJ-QRVBRYPASA-N 2 0 349.519 2.129 10 30 EEEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001270082355 1184834646 /nfs/dbraw/zinc/83/46/46/1184834646.db2.gz UTQYOKBXXLLQIG-FQEVSTJZSA-N 2 0 327.472 2.454 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001271346598 1186152170 /nfs/dbraw/zinc/15/21/70/1186152170.db2.gz FFDJGQXAFDRICR-WDSOQIARSA-N 2 0 333.520 2.395 10 30 EEEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001271551434 1186304294 /nfs/dbraw/zinc/30/42/94/1186304294.db2.gz KZRPXPRMHVFDKP-MRXNPFEDSA-N 2 0 339.443 2.428 10 30 EEEERP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001272773076 1193491124 /nfs/dbraw/zinc/49/11/24/1193491124.db2.gz JDSXZFMVANDVNC-KBPBESRZSA-N 2 0 346.313 2.252 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482866827 1187786692 /nfs/dbraw/zinc/78/66/92/1187786692.db2.gz ZGYPLZWXOFEWCB-GJYPPUQNSA-N 2 0 342.487 2.273 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482929831 1187850621 /nfs/dbraw/zinc/85/06/21/1187850621.db2.gz LOPPBOMSKKADMX-HXUWFJFHSA-N 2 0 341.499 2.351 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cc(C)sc2C)CC1 ZINC001483197299 1189081800 /nfs/dbraw/zinc/08/18/00/1189081800.db2.gz DYNZEOAHKPNBJT-CQSZACIVSA-N 2 0 347.528 2.304 10 30 EEEERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001483512288 1190525599 /nfs/dbraw/zinc/52/55/99/1190525599.db2.gz UZCKLDXXBHOBEI-GJZGRUSLSA-N 2 0 348.516 2.431 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CCCC=C)CC1 ZINC001483986923 1191143140 /nfs/dbraw/zinc/14/31/40/1191143140.db2.gz XTAVFWIGCODHJC-IBGZPJMESA-N 2 0 331.504 2.363 10 30 EEEERP C#CC[NH+]1CCC2(CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001485011630 1191615690 /nfs/dbraw/zinc/61/56/90/1191615690.db2.gz SULJNLCOFAGUJZ-UHFFFAOYSA-N 2 0 331.504 2.200 10 30 EEEERP CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001485107589 1191656818 /nfs/dbraw/zinc/65/68/18/1191656818.db2.gz XSSRSMDDMCNRTN-PVARCSIZSA-N 2 0 346.450 2.022 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC=C)[C@@H]2C)CC1 ZINC001486185846 1193726974 /nfs/dbraw/zinc/72/69/74/1193726974.db2.gz DQWJSLCDRCJJJO-IEBWSBKVSA-N 2 0 331.504 2.267 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C2CCC([NH2+]CCCC)CC2)CC1 ZINC001275639176 1205456989 /nfs/dbraw/zinc/45/69/89/1205456989.db2.gz PXJQQSMGRMIVIJ-UHFFFAOYSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@@H](CN(C)CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001275720763 1205498687 /nfs/dbraw/zinc/49/86/87/1205498687.db2.gz MOCAAUNBIWPCAR-DOTOQJQBSA-N 2 0 347.890 2.080 10 30 EEEERP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C34CCCC4)CC2)nc1 ZINC000925610023 1206135637 /nfs/dbraw/zinc/13/56/37/1206135637.db2.gz YMJALIRRZPJWDQ-QGZVFWFLSA-N 2 0 325.460 2.186 10 30 EEEERP C(#CC[NH2+][C@H]1CCOC12CCCC2)C[NH2+][C@H]1CCOC12CCCC2 ZINC000934380565 1207951589 /nfs/dbraw/zinc/95/15/89/1207951589.db2.gz CCVVXUISSOGVDP-ROUUACIJSA-N 2 0 332.488 2.372 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(C#N)ccn1 ZINC000903048502 1239616546 /nfs/dbraw/zinc/61/65/46/1239616546.db2.gz NSXOVUNCIGOZAK-BEFAXECRSA-N 2 0 336.439 2.371 10 30 EEEERP N#Cc1cc(F)ccc1N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903937828 1242586177 /nfs/dbraw/zinc/58/61/77/1242586177.db2.gz SEXDFOFQTLTUBE-DODVFSASSA-N 2 0 328.435 2.350 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)CC[N@H+](C)CC ZINC001273693897 1283486842 /nfs/dbraw/zinc/48/68/42/1283486842.db2.gz ANZFNWNAVKAMDB-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001489339700 1290524635 /nfs/dbraw/zinc/52/46/35/1290524635.db2.gz URQSYGJMLCXNPR-QFBILLFUSA-N 2 0 337.483 2.145 10 30 EEEERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001490679938 1291561677 /nfs/dbraw/zinc/56/16/77/1291561677.db2.gz QCCIIHNRLFHGLN-DLBZAZTESA-N 2 0 346.500 2.088 10 30 EEEERP C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001276799114 1297874266 /nfs/dbraw/zinc/87/42/66/1297874266.db2.gz HMWJDZGVWOFOHK-DLBZAZTESA-N 2 0 339.524 2.136 10 30 EEEERP C[NH+](C)CCC(=O)N[C@]1(C)CCN(CC#Cc2ccccc2Cl)C1 ZINC001278420552 1310187433 /nfs/dbraw/zinc/18/74/33/1310187433.db2.gz MVGGBSCWOYVVRV-LJQANCHMSA-N 2 0 347.890 2.224 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001276400412 1314750337 /nfs/dbraw/zinc/75/03/37/1314750337.db2.gz YUMWLZOMKWNWAD-CALCHBBNSA-N 2 0 342.487 2.369 10 30 EEEERP C#CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001264586117 1322740608 /nfs/dbraw/zinc/74/06/08/1322740608.db2.gz LLGLLECBTQUGKY-BPQIPLTHSA-N 2 0 333.520 2.203 10 30 EEEERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001265027383 1322870658 /nfs/dbraw/zinc/87/06/58/1322870658.db2.gz NWFJHSBKPBSZRL-LPHOPBHVSA-N 2 0 342.487 2.227 10 30 EEEERP CC(C)(C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001265923719 1323490228 /nfs/dbraw/zinc/49/02/28/1323490228.db2.gz XLAXQTDJTKQPAU-IBGZPJMESA-N 2 0 339.483 2.103 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001280252451 1324130282 /nfs/dbraw/zinc/13/02/82/1324130282.db2.gz SQEPVOHRVANCTH-CQSZACIVSA-N 2 0 346.313 2.065 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001282242146 1325666491 /nfs/dbraw/zinc/66/64/91/1325666491.db2.gz QKWULIGGDLVQLJ-HOTGVXAUSA-N 2 0 333.520 2.251 10 30 EEEERP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001284814778 1326726799 /nfs/dbraw/zinc/72/67/99/1326726799.db2.gz CCLFMAFXXSJIDW-CTWPCTMYSA-N 2 0 327.472 2.282 10 30 EEEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001491966018 1330361268 /nfs/dbraw/zinc/36/12/68/1330361268.db2.gz WZZJEMWBUCWOOI-MOPGFXCFSA-N 2 0 333.520 2.443 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001492128833 1330982068 /nfs/dbraw/zinc/98/20/68/1330982068.db2.gz GNDFGXZPIDWYAX-APWZRJJASA-N 2 0 342.487 2.417 10 30 EEEERP CCC[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)C[NH+](C)C(C)C ZINC001317546598 1332291819 /nfs/dbraw/zinc/29/18/19/1332291819.db2.gz RAKHCQRNBUEUJZ-UHFFFAOYSA-N 2 0 347.478 2.346 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001318999907 1332635334 /nfs/dbraw/zinc/63/53/34/1332635334.db2.gz GMVOJYOFDKXCFU-VQTJNVASSA-N 2 0 339.483 2.433 10 30 EEEERP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001324414197 1333677553 /nfs/dbraw/zinc/67/75/53/1333677553.db2.gz UHUZGJOZCCRUCD-INIZCTEOSA-N 2 0 325.472 2.003 10 30 EEEERP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001324432544 1333682117 /nfs/dbraw/zinc/68/21/17/1333682117.db2.gz XZKMRQLDPLUWHY-FAOGRTBUSA-N 2 0 337.895 2.007 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CCO1 ZINC001327035046 1334208093 /nfs/dbraw/zinc/20/80/93/1334208093.db2.gz NBYJCJQQHBMSNJ-ZWKOTPCHSA-N 2 0 337.508 2.033 10 30 EEEERP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCc3cnc(C)n3C2)CC1 ZINC001327473694 1334298596 /nfs/dbraw/zinc/29/85/96/1334298596.db2.gz AIBISOLFJHVBGS-MRXNPFEDSA-N 2 0 330.476 2.301 10 30 EEEERP C#CC[NH2+]CC1(NC(=O)C[N@H+](C)CCc2ccccc2)CCCCC1 ZINC001329845187 1334725524 /nfs/dbraw/zinc/72/55/24/1334725524.db2.gz BYSYQCVCIOJGST-UHFFFAOYSA-N 2 0 341.499 2.203 10 30 EEEERP C#CCC[NH+]1CCC(C2(NC(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC001333181330 1335977940 /nfs/dbraw/zinc/97/79/40/1335977940.db2.gz XOIBPDMQNFMUDT-UHFFFAOYSA-N 2 0 331.504 2.102 10 30 EEEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001502510958 1342200800 /nfs/dbraw/zinc/20/08/00/1342200800.db2.gz JIUHZKBJFKHOIM-UHFFFAOYSA-N 2 0 337.508 2.034 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001566900733 1342648656 /nfs/dbraw/zinc/64/86/56/1342648656.db2.gz ZJEVIXWHWFRKBC-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001566939519 1342655335 /nfs/dbraw/zinc/65/53/35/1342655335.db2.gz DQRLEDGOJCHBCZ-MRXNPFEDSA-N 2 0 333.501 2.417 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001567021580 1342681133 /nfs/dbraw/zinc/68/11/33/1342681133.db2.gz MDDYUZSDKHWIOX-IEBWSBKVSA-N 2 0 327.472 2.007 10 30 EEEERP C[NH+](C)CCC(=O)NC1(C)CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001569575149 1342899494 /nfs/dbraw/zinc/89/94/94/1342899494.db2.gz IMCYNSQQFIYSDN-UHFFFAOYSA-N 2 0 345.462 2.100 10 30 EEEERP CC#CC[NH2+]CCC[C@H](NC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001676145006 1357114041 /nfs/dbraw/zinc/11/40/41/1357114041.db2.gz RFIMUZHIJCHFEB-IBGZPJMESA-N 2 0 327.472 2.333 10 30 EEEERP C#CCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001657101806 1354325982 /nfs/dbraw/zinc/32/59/82/1354325982.db2.gz HVFZKJXNWWWHBU-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC#Cc2ccccc2)CC[N@@H+]1C ZINC001660150351 1354404932 /nfs/dbraw/zinc/40/49/32/1354404932.db2.gz QEBMFDZFEWQPBY-VQTJNVASSA-N 2 0 341.499 2.207 10 30 EEEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001661934520 1354725740 /nfs/dbraw/zinc/72/57/40/1354725740.db2.gz VNZAHFVOOYFXCZ-MRXNPFEDSA-N 2 0 325.416 2.038 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cccc(CC)c2)CC1 ZINC001662423314 1354794519 /nfs/dbraw/zinc/79/45/19/1354794519.db2.gz BMIFEFPHLBPFOU-KRWDZBQOSA-N 2 0 341.499 2.189 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001666111352 1355454672 /nfs/dbraw/zinc/45/46/72/1355454672.db2.gz RMEHRBNGRDQIGY-OWCLPIDISA-N 2 0 327.900 2.297 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001666897611 1355611255 /nfs/dbraw/zinc/61/12/55/1355611255.db2.gz HBUHPIYIRYIPQO-ICSRJNTNSA-N 2 0 341.499 2.347 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001668092152 1355868049 /nfs/dbraw/zinc/86/80/49/1355868049.db2.gz KGKUWDZKKYRDIU-AWEZNQCLSA-N 2 0 346.450 2.166 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001671862729 1356426446 /nfs/dbraw/zinc/42/64/46/1356426446.db2.gz GYFUTEMQHDJOMY-ROUUACIJSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCOCC1 ZINC001699884036 1405550294 /nfs/dbraw/zinc/55/02/94/1405550294.db2.gz AJIMGILZPDDYNT-ZWKOTPCHSA-N 2 0 349.519 2.225 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076616 779797607 /nfs/dbraw/zinc/79/76/07/779797607.db2.gz YRQRXWXGQPLVLI-QZTJIDSGSA-N 2 0 333.520 2.491 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000907739345 784818575 /nfs/dbraw/zinc/81/85/75/784818575.db2.gz SOBVIWHZVRQQRP-SFHVURJKSA-N 2 0 347.528 2.228 10 30 EEEERP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923389474 789485250 /nfs/dbraw/zinc/48/52/50/789485250.db2.gz REKXMEUZYIBLFH-RTBURBONSA-N 2 0 343.471 2.010 10 30 EEEERP C#CCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000913839018 794365183 /nfs/dbraw/zinc/36/51/83/794365183.db2.gz GJZDLQZJZUHIQQ-UHFFFAOYSA-N 2 0 334.508 2.035 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000913999217 794717442 /nfs/dbraw/zinc/71/74/42/794717442.db2.gz MMBPCNZAEBDKGV-GOSISDBHSA-N 2 0 336.524 2.140 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001439283181 1091941092 /nfs/dbraw/zinc/94/10/92/1091941092.db2.gz CLDFUSHNPHBOHX-XJKSGUPXSA-N 2 0 334.489 2.088 10 30 EEEERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001442249572 1096551935 /nfs/dbraw/zinc/55/19/35/1096551935.db2.gz FMURNGABKLBDEI-VQIMIIECSA-N 2 0 342.487 2.415 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001480596210 1100444876 /nfs/dbraw/zinc/44/48/76/1100444876.db2.gz JHUOCQKGBAFINU-UZLBHIALSA-N 2 0 339.483 2.113 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001495509417 1101222167 /nfs/dbraw/zinc/22/21/67/1101222167.db2.gz PLXXMBSIZFWYKS-LJQANCHMSA-N 2 0 327.472 2.290 10 30 EEEERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001495684892 1101435264 /nfs/dbraw/zinc/43/52/64/1101435264.db2.gz YCELZKPKLBDVQE-VQIMIIECSA-N 2 0 342.487 2.275 10 30 EEEERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001497312235 1102298453 /nfs/dbraw/zinc/29/84/53/1102298453.db2.gz NWDZIZCPEVTNKZ-RDTXWAMCSA-N 2 0 348.466 2.268 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001447883347 1103510971 /nfs/dbraw/zinc/51/09/71/1103510971.db2.gz JZVMLHPKZLPPOT-CVEARBPZSA-N 2 0 342.487 2.415 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001480682738 1106876413 /nfs/dbraw/zinc/87/64/13/1106876413.db2.gz HNQOHAROIFKNKS-MRXNPFEDSA-N 2 0 331.460 2.196 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1CC ZINC001498889432 1108282306 /nfs/dbraw/zinc/28/23/06/1108282306.db2.gz LJBJPZIMZXQODB-VQIMIIECSA-N 2 0 338.455 2.496 10 30 EEEERP C#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1CC ZINC001498894402 1108290115 /nfs/dbraw/zinc/29/01/15/1108290115.db2.gz RCEGJEUGZHPEDN-QZTJIDSGSA-N 2 0 333.520 2.348 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1CC)C(C)C ZINC001467659896 1110461145 /nfs/dbraw/zinc/46/11/45/1110461145.db2.gz BPGVFWBAXQVRHX-QZTJIDSGSA-N 2 0 336.524 2.421 10 30 EEEERP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC2)C1 ZINC001499477978 1112308439 /nfs/dbraw/zinc/30/84/39/1112308439.db2.gz KXVZQDBYIIHIRA-ZWKOTPCHSA-N 2 0 339.499 2.413 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC(=C)C)C2CCCC2)CC1 ZINC001500130413 1112631219 /nfs/dbraw/zinc/63/12/19/1112631219.db2.gz FDTXENAFXFJBRW-IBGZPJMESA-N 2 0 331.504 2.172 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001501053477 1113182405 /nfs/dbraw/zinc/18/24/05/1113182405.db2.gz IQSAWQDTNXUKMF-IRXDYDNUSA-N 2 0 333.520 2.489 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C#N)s1 ZINC001501400198 1113344252 /nfs/dbraw/zinc/34/42/52/1113344252.db2.gz QOTRVSCTTFKGBE-IRXDYDNUSA-N 2 0 346.500 2.137 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+]([C@H](C)CCC=C)CC2)CC1 ZINC001508229454 1115454523 /nfs/dbraw/zinc/45/45/23/1115454523.db2.gz KZRDHCCGADKBMA-GOSISDBHSA-N 2 0 343.515 2.435 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001568406170 1124475416 /nfs/dbraw/zinc/47/54/16/1124475416.db2.gz FDUKUJOVYCPVEU-LSDHHAIUSA-N 2 0 333.501 2.273 10 30 EEEERP C#CCC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001568441396 1124511143 /nfs/dbraw/zinc/51/11/43/1124511143.db2.gz YWWUOTRRAJYPHC-ROUUACIJSA-N 2 0 333.520 2.443 10 30 EEEERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001569038038 1125058338 /nfs/dbraw/zinc/05/83/38/1125058338.db2.gz FDDXAJIDJARSCH-UYAOXDASSA-N 2 0 341.499 2.253 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCC=C)CC1 ZINC001569176203 1125146791 /nfs/dbraw/zinc/14/67/91/1125146791.db2.gz ZHVDEVWQNALRJL-RBUKOAKNSA-N 2 0 331.504 2.172 10 30 EEEERP C#Cc1ccc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000297697295 465266318 /nfs/dbraw/zinc/26/63/18/465266318.db2.gz QXOOOVZDOVMPNQ-UHFFFAOYSA-N 2 0 344.503 2.083 10 30 EEEERP Cc1cc(C#N)cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000367331677 466270803 /nfs/dbraw/zinc/27/08/03/466270803.db2.gz GTDQZNFDOFUTML-JWTNVVGKSA-N 2 0 325.460 2.009 10 30 EEEERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181527096 527742078 /nfs/dbraw/zinc/74/20/78/527742078.db2.gz GDIUJYMXQXAVSA-IBGZPJMESA-N 2 0 326.488 2.454 10 30 EEEERP C[NH+]=C(NCCc1cc(F)ccc1F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262384863 679436528 /nfs/dbraw/zinc/43/65/28/679436528.db2.gz LDOQNCTVOHOYIF-MRXNPFEDSA-N 2 0 334.414 2.029 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000899952481 693938755 /nfs/dbraw/zinc/93/87/55/693938755.db2.gz HDPUCWNISRTSSD-LJQANCHMSA-N 2 0 345.487 2.456 10 30 EEEERP C[C@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485748162 1191930430 /nfs/dbraw/zinc/93/04/30/1191930430.db2.gz KVXYWXDMSCCSGC-ZBFHGGJFSA-N 2 0 346.450 2.024 10 30 EEEERP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001691319463 1177902648 /nfs/dbraw/zinc/90/26/48/1177902648.db2.gz JVXAOWNUEFGEDG-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001266985033 1178039457 /nfs/dbraw/zinc/03/94/57/1178039457.db2.gz ZWZXFCWQSOCVIV-HNNXBMFYSA-N 2 0 335.879 2.128 10 30 EEEERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001266987450 1178043804 /nfs/dbraw/zinc/04/38/04/1178043804.db2.gz QBMQWMSRDFNORU-HNNXBMFYSA-N 2 0 335.879 2.128 10 30 EEEERP C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001691427883 1178316030 /nfs/dbraw/zinc/31/60/30/1178316030.db2.gz GLXFZYXQGNMJPC-NZSAHSFTSA-N 2 0 331.504 2.101 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267386308 1178946621 /nfs/dbraw/zinc/94/66/21/1178946621.db2.gz CFQXTZZRDNAYBK-QGZVFWFLSA-N 2 0 346.450 2.120 10 30 EEEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001267492832 1179168700 /nfs/dbraw/zinc/16/87/00/1179168700.db2.gz YFBWNXPUICBNDD-HKUYNNGSSA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC(=C)C)c2ccccc2)CC1 ZINC001267526106 1179267218 /nfs/dbraw/zinc/26/72/18/1179267218.db2.gz KYQPDNWLQNDSLN-HXUWFJFHSA-N 2 0 339.483 2.355 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481490800 1181551873 /nfs/dbraw/zinc/55/18/73/1181551873.db2.gz JQFAGKHSOMQACM-KRWDZBQOSA-N 2 0 333.520 2.443 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC001482022349 1183148155 /nfs/dbraw/zinc/14/81/55/1183148155.db2.gz IBBRMRQHSWEVIH-QAQDUYKDSA-N 2 0 346.450 2.166 10 30 EEEERP C[C@@H](CNC(=O)CCC[NH+](C)C)C[NH2+]CC#Cc1ccccc1Cl ZINC001482134698 1183388972 /nfs/dbraw/zinc/38/89/72/1183388972.db2.gz BFZZCVYVCFEFKA-MRXNPFEDSA-N 2 0 349.906 2.375 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001268798522 1183717750 /nfs/dbraw/zinc/71/77/50/1183717750.db2.gz KXKPWSJJCQQDSC-IBGZPJMESA-N 2 0 329.488 2.062 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH2+]CCC)cc2)CC1 ZINC001270089079 1184837568 /nfs/dbraw/zinc/83/75/68/1184837568.db2.gz YGNBARQZNPEVTQ-UHFFFAOYSA-N 2 0 327.472 2.148 10 30 EEEERP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001482504215 1186413395 /nfs/dbraw/zinc/41/33/95/1186413395.db2.gz KEFGVTZJWVXECZ-IAGOWNOFSA-N 2 0 328.460 2.097 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001482868676 1187789080 /nfs/dbraw/zinc/78/90/80/1187789080.db2.gz WGTNBFKMABTTQH-AWEZNQCLSA-N 2 0 346.450 2.024 10 30 EEEERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001409393061 1189614708 /nfs/dbraw/zinc/61/47/08/1189614708.db2.gz JGCHKAWJPGCWMV-KBPBESRZSA-N 2 0 346.450 2.022 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)CCCC[NH+]1CCCC1 ZINC001483298461 1190320700 /nfs/dbraw/zinc/32/07/00/1190320700.db2.gz GXHOEYCLKSIODK-IBGZPJMESA-N 2 0 341.499 2.399 10 30 EEEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001483817085 1191045500 /nfs/dbraw/zinc/04/55/00/1191045500.db2.gz WXQXMKRAXLHDDM-UHFFFAOYSA-N 2 0 331.504 2.197 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC(C)C)C2CCCC2)CC1 ZINC001484013860 1191155884 /nfs/dbraw/zinc/15/58/84/1191155884.db2.gz FDNQMRZTNZSWKD-IBGZPJMESA-N 2 0 333.520 2.252 10 30 EEEERP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001484340580 1191311248 /nfs/dbraw/zinc/31/12/48/1191311248.db2.gz AIWVGSHUTNOBCC-AEFFLSMTSA-N 2 0 329.488 2.417 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001484385413 1191325921 /nfs/dbraw/zinc/32/59/21/1191325921.db2.gz ZGIJWKZNZZNNIN-LPHOPBHVSA-N 2 0 342.487 2.083 10 30 EEEERP C#CCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001484772535 1191514844 /nfs/dbraw/zinc/51/48/44/1191514844.db2.gz WFJISBPPDBJTJW-MOPGFXCFSA-N 2 0 333.520 2.445 10 30 EEEERP CCCC[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485471452 1191801300 /nfs/dbraw/zinc/80/13/00/1191801300.db2.gz HDAVEEVCUDWKFI-RTBURBONSA-N 2 0 342.487 2.275 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001486185995 1193726114 /nfs/dbraw/zinc/72/61/14/1193726114.db2.gz FUKSREMYAIWBSE-APWZRJJASA-N 2 0 342.487 2.368 10 30 EEEERP C[NH+](C)C[C@@H]1CN(c2c(C#N)cnc3ccccc32)C[C@H]1C[NH+](C)C ZINC000866012994 1198454173 /nfs/dbraw/zinc/45/41/73/1198454173.db2.gz ZCPJCQLDCZLWIH-IAGOWNOFSA-N 2 0 337.471 2.282 10 30 EEEERP C=CC(C)(C)CCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000876320427 1199585528 /nfs/dbraw/zinc/58/55/28/1199585528.db2.gz BHNYMVCAUFDDOD-IAGOWNOFSA-N 2 0 338.540 2.360 10 30 EEEERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000867959888 1201715682 /nfs/dbraw/zinc/71/56/82/1201715682.db2.gz CUNQDQSOECBVQI-YJYMSZOUSA-N 2 0 334.423 2.081 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H](C)[NH2+]CCC=C)CC1 ZINC001490309545 1291181234 /nfs/dbraw/zinc/18/12/34/1291181234.db2.gz KZLXTKCTAKDDKS-PKOBYXMFSA-N 2 0 331.504 2.267 10 30 EEEERP C=C(C)[C@@H](CO)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604059 1293580271 /nfs/dbraw/zinc/58/02/71/1293580271.db2.gz SIULHSHUWAFFOU-RBUKOAKNSA-N 2 0 333.476 2.312 10 30 EEEERP N#CC1(C[C@H](O)C[NH2+]C2CCC([NH+]3CCCCC3)CC2)CCOCC1 ZINC000863552273 1296331993 /nfs/dbraw/zinc/33/19/93/1296331993.db2.gz QPLFDJWXHYVIAO-ACBHZAAOSA-N 2 0 349.519 2.444 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001277115005 1301353317 /nfs/dbraw/zinc/35/33/17/1301353317.db2.gz XVYWSTDGGXUHAL-UHFFFAOYSA-N 2 0 325.416 2.086 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001277149127 1301517642 /nfs/dbraw/zinc/51/76/42/1301517642.db2.gz ZMUUDSKLWMJOBL-YJBOKZPZSA-N 2 0 328.460 2.027 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCC2CC2)CC1 ZINC001264010378 1322583713 /nfs/dbraw/zinc/58/37/13/1322583713.db2.gz XFVADPHVKHXWDN-XLIONFOSSA-N 2 0 345.531 2.348 10 30 EEEERP C=CCCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001264448218 1322703688 /nfs/dbraw/zinc/70/36/88/1322703688.db2.gz VIVPIXGJRKNMQL-SLFFLAALSA-N 2 0 341.499 2.489 10 30 EEEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001265407137 1323135735 /nfs/dbraw/zinc/13/57/35/1323135735.db2.gz RDEIBAFQOZYJRT-YSHGAJCASA-N 2 0 331.504 2.358 10 30 EEEERP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001266081661 1323639100 /nfs/dbraw/zinc/63/91/00/1323639100.db2.gz PUWXMLMQRMBGJC-QGZVFWFLSA-N 2 0 335.879 2.282 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001279137304 1323838863 /nfs/dbraw/zinc/83/88/63/1323838863.db2.gz DUOLDIQGEQQCLS-ZWKOTPCHSA-N 2 0 333.520 2.206 10 30 EEEERP C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001281456560 1325120558 /nfs/dbraw/zinc/12/05/58/1325120558.db2.gz CSKANSVMZDGBBE-GXTWGEPZSA-N 2 0 346.313 2.063 10 30 EEEERP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001281721772 1325412675 /nfs/dbraw/zinc/41/26/75/1325412675.db2.gz FPUQCBMGFBMIOT-INIZCTEOSA-N 2 0 345.462 2.146 10 30 EEEERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001282226722 1325656824 /nfs/dbraw/zinc/65/68/24/1325656824.db2.gz DXGDTVPYTOXCQM-HOTGVXAUSA-N 2 0 347.890 2.270 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001282494896 1325732403 /nfs/dbraw/zinc/73/24/03/1325732403.db2.gz COBFQAZGVBJJOM-MRXNPFEDSA-N 2 0 333.520 2.204 10 30 EEEERP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001282880040 1325820756 /nfs/dbraw/zinc/82/07/56/1325820756.db2.gz ZULOTXJLWFFCPM-OAFZBRQQSA-N 2 0 337.483 2.069 10 30 EEEERP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001283706135 1326210946 /nfs/dbraw/zinc/21/09/46/1326210946.db2.gz ZXWNFYYVKGIVPQ-INIZCTEOSA-N 2 0 349.906 2.470 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001284181293 1326450449 /nfs/dbraw/zinc/45/04/49/1326450449.db2.gz WCIZNXLDDOMUAR-ZBFHGGJFSA-N 2 0 333.501 2.321 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001284229375 1326467395 /nfs/dbraw/zinc/46/73/95/1326467395.db2.gz YIXADKHJWUCNNK-VQTJNVASSA-N 2 0 341.499 2.254 10 30 EEEERP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001491618608 1330186064 /nfs/dbraw/zinc/18/60/64/1330186064.db2.gz QKWNIVWJMYLTQI-QGZVFWFLSA-N 2 0 345.462 2.003 10 30 EEEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001316810963 1331907082 /nfs/dbraw/zinc/90/70/82/1331907082.db2.gz MNWLHEKVTNNHQN-DLBZAZTESA-N 2 0 339.499 2.296 10 30 EEEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(CN2CCCC2)on1 ZINC001317192574 1332123962 /nfs/dbraw/zinc/12/39/62/1332123962.db2.gz OSJDGJPNRZOKKF-HNNXBMFYSA-N 2 0 332.448 2.041 10 30 EEEERP C=CCCCCC[N@@H+]1CCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001319307513 1332679428 /nfs/dbraw/zinc/67/94/28/1332679428.db2.gz HTIWPESELAPBHU-GOSISDBHSA-N 2 0 349.519 2.178 10 30 EEEERP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001319867858 1332788785 /nfs/dbraw/zinc/78/87/85/1332788785.db2.gz HAUFOEKRCSMMJX-APWZRJJASA-N 2 0 327.472 2.212 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320902276 1332975450 /nfs/dbraw/zinc/97/54/50/1332975450.db2.gz QXZSLFGYVBSPRW-IBGZPJMESA-N 2 0 329.488 2.062 10 30 EEEERP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001323733389 1333526482 /nfs/dbraw/zinc/52/64/82/1333526482.db2.gz HSVMIDHJNYFDJV-HXUWFJFHSA-N 2 0 343.515 2.055 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001324087922 1333606160 /nfs/dbraw/zinc/60/61/60/1333606160.db2.gz KATHNJZMGHARHV-VQIMIIECSA-N 2 0 327.472 2.354 10 30 EEEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001326312118 1334066022 /nfs/dbraw/zinc/06/60/22/1334066022.db2.gz GTCCDXWPKHOWGR-MRXNPFEDSA-N 2 0 339.443 2.285 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCc2cccs2)CC1 ZINC001329625863 1334686827 /nfs/dbraw/zinc/68/68/27/1334686827.db2.gz YDHUGOMGDAQCDA-MRXNPFEDSA-N 2 0 347.528 2.072 10 30 EEEERP C#CCC[NH2+][C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC001332221896 1335773476 /nfs/dbraw/zinc/77/34/76/1335773476.db2.gz PKTXNFYVVQOLFS-PMACEKPBSA-N 2 0 341.499 2.201 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001668214022 1355900785 /nfs/dbraw/zinc/90/07/85/1355900785.db2.gz HMHXOLVVWGKALA-CZUORRHYSA-N 2 0 333.879 2.436 10 30 EEEERP C=C(Br)C[NH2+]CCN(CC)C(=O)C[C@H](C)n1ccnc1 ZINC001668570069 1355964384 /nfs/dbraw/zinc/96/43/84/1355964384.db2.gz LZNDZNDKCKOWIE-ZDUSSCGKSA-N 2 0 343.269 2.181 10 30 EEEERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001566795453 1342630683 /nfs/dbraw/zinc/63/06/83/1342630683.db2.gz UEKXUJDPSDIHOF-FHWLQOOXSA-N 2 0 345.462 2.000 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CCCCC)C2)CC1 ZINC001567202248 1342711594 /nfs/dbraw/zinc/71/15/94/1342711594.db2.gz FDCOYROUKUWQTP-LJQANCHMSA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]21 ZINC001676845665 1357219187 /nfs/dbraw/zinc/21/91/87/1357219187.db2.gz MBHZRIHKKPTKDH-KZNAEPCWSA-N 2 0 333.520 2.204 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H]([N@@H+](C)CC)C1)C(C)C ZINC001665702008 1355364904 /nfs/dbraw/zinc/36/49/04/1355364904.db2.gz ULYOFMJEHLLNNZ-ROUUACIJSA-N 2 0 336.524 2.421 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001667301532 1355703011 /nfs/dbraw/zinc/70/30/11/1355703011.db2.gz FIWPTERSSAHIQQ-HXUWFJFHSA-N 2 0 345.531 2.493 10 30 EEEERP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001672433299 1356522067 /nfs/dbraw/zinc/52/20/67/1356522067.db2.gz BYRKEZLEJYLXKX-GBESFXJTSA-N 2 0 333.520 2.465 10 30 EEEERP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001673645353 1356725210 /nfs/dbraw/zinc/72/52/10/1356725210.db2.gz JGQAYCGZSBBMQE-MJGOQNOKSA-N 2 0 337.483 2.004 10 30 EEEERP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001674347722 1356822400 /nfs/dbraw/zinc/82/24/00/1356822400.db2.gz KLGHSZZREPUYLA-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001674771922 1356893996 /nfs/dbraw/zinc/89/39/96/1356893996.db2.gz COUBZSHOFQFBGV-IRXDYDNUSA-N 2 0 333.520 2.395 10 30 EEEERP C=CCOCC[NH+]1CCC(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001698723751 1405029453 /nfs/dbraw/zinc/02/94/53/1405029453.db2.gz ZUOBYLASOBFWGO-UHFFFAOYSA-N 2 0 349.519 2.036 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699105385 1405259653 /nfs/dbraw/zinc/25/96/53/1405259653.db2.gz GHHKNRSNVKOSMG-HNNXBMFYSA-N 2 0 328.460 2.027 10 30 EEEERP C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699114227 1405269509 /nfs/dbraw/zinc/26/95/09/1405269509.db2.gz CRRNZUHLLCETQH-QFBILLFUSA-N 2 0 345.462 2.146 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001437002020 1088762244 /nfs/dbraw/zinc/76/22/44/1088762244.db2.gz KJDMQYXCACJBEA-OAHLLOKOSA-N 2 0 348.516 2.288 10 30 EEEERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001437214497 1089295683 /nfs/dbraw/zinc/29/56/83/1089295683.db2.gz LMWCPMYKFUEAML-YOEHRIQHSA-N 2 0 348.516 2.477 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001437836743 1090423407 /nfs/dbraw/zinc/42/34/07/1090423407.db2.gz FQLXNFJLWAZBJP-PBHICJAKSA-N 2 0 339.911 2.297 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001439465982 1092250617 /nfs/dbraw/zinc/25/06/17/1092250617.db2.gz GYGIGBMPHQCDKY-JKSUJKDBSA-N 2 0 327.900 2.344 10 30 EEEERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001440843232 1094100157 /nfs/dbraw/zinc/10/01/57/1094100157.db2.gz YGTOBZKLMKOHNP-DLBZAZTESA-N 2 0 342.487 2.273 10 30 EEEERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001441584832 1095400056 /nfs/dbraw/zinc/40/00/56/1095400056.db2.gz KOBATGLPHGYKIS-CQSZACIVSA-N 2 0 348.516 2.431 10 30 EEEERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccccc1C#N ZINC001479847846 1099142827 /nfs/dbraw/zinc/14/28/27/1099142827.db2.gz UMZABOHVAWYPII-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP CCC[N@H+](C)CC(=O)NC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001480058672 1099581123 /nfs/dbraw/zinc/58/11/23/1099581123.db2.gz RQYCRMKCMLPOGB-IBGZPJMESA-N 2 0 345.462 2.003 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001480492443 1100304037 /nfs/dbraw/zinc/30/40/37/1100304037.db2.gz KLPBFRHICBWKDV-PBHICJAKSA-N 2 0 348.516 2.334 10 30 EEEERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001480527932 1100358722 /nfs/dbraw/zinc/35/87/22/1100358722.db2.gz YFBJAFMKFMIYLW-DZKIICNBSA-N 2 0 346.450 2.022 10 30 EEEERP C=CCCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001494597739 1104184713 /nfs/dbraw/zinc/18/47/13/1104184713.db2.gz SWHIIQYNUFLSBH-UXHICEINSA-N 2 0 341.499 2.346 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001494876487 1104486620 /nfs/dbraw/zinc/48/66/20/1104486620.db2.gz PQFLYQTYUQVWFF-SFHVURJKSA-N 2 0 337.483 2.004 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001480832668 1107229430 /nfs/dbraw/zinc/22/94/30/1107229430.db2.gz DRUXGCVMLIMYQZ-FQEVSTJZSA-N 2 0 345.531 2.493 10 30 EEEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001500404281 1112806049 /nfs/dbraw/zinc/80/60/49/1112806049.db2.gz CACKSHMFOFRONQ-QUCCMNQESA-N 2 0 333.520 2.348 10 30 EEEERP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)CC[NH+](C)C)CC1 ZINC001501203080 1113240216 /nfs/dbraw/zinc/24/02/16/1113240216.db2.gz NKRKRTLJENUYBF-UHFFFAOYSA-N 2 0 330.476 2.012 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2cccc(F)c2)CC1 ZINC001505760017 1114174054 /nfs/dbraw/zinc/17/40/54/1114174054.db2.gz FFZZXKXDQRCOAK-JKSUJKDBSA-N 2 0 345.462 2.154 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001506938058 1114987555 /nfs/dbraw/zinc/98/75/55/1114987555.db2.gz JXKKVSCYIOOTDR-DLBZAZTESA-N 2 0 342.487 2.275 10 30 EEEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC001507445374 1115273559 /nfs/dbraw/zinc/27/35/59/1115273559.db2.gz BEFQGXOYFKSSTO-KXBFYZLASA-N 2 0 337.483 2.049 10 30 EEEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC001507445373 1115273612 /nfs/dbraw/zinc/27/36/12/1115273612.db2.gz BEFQGXOYFKSSTO-HNAYVOBHSA-N 2 0 337.483 2.049 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC001508030124 1115393776 /nfs/dbraw/zinc/39/37/76/1115393776.db2.gz PEWNKWNHPJQYKC-CEXWTWQISA-N 2 0 341.499 2.086 10 30 EEEERP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H](c1ccccc1)[N@@H+](C)CC)CC2 ZINC001568253154 1124387685 /nfs/dbraw/zinc/38/76/85/1124387685.db2.gz ZABDUHPSLTXCIS-IBGZPJMESA-N 2 0 339.483 2.237 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001568291191 1124407758 /nfs/dbraw/zinc/40/77/58/1124407758.db2.gz DPNWGYVJAPVULO-GOSISDBHSA-N 2 0 341.499 2.349 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568647366 1124659320 /nfs/dbraw/zinc/65/93/20/1124659320.db2.gz YJCXLAYEYUXBJZ-RDTXWAMCSA-N 2 0 346.450 2.166 10 30 EEEERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001568713986 1124731748 /nfs/dbraw/zinc/73/17/48/1124731748.db2.gz MLUVNMFAQATSOG-QUCCMNQESA-N 2 0 341.499 2.397 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000245686990 464507317 /nfs/dbraw/zinc/50/73/17/464507317.db2.gz WJCXAAFSKLQSBQ-RBUKOAKNSA-N 2 0 342.487 2.381 10 30 EEEERP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)CC1 ZINC000245713081 464510150 /nfs/dbraw/zinc/51/01/50/464510150.db2.gz GJJYYRILEHEHRU-IEBWSBKVSA-N 2 0 342.487 2.189 10 30 EEEERP C(#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)C[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000366941212 466029773 /nfs/dbraw/zinc/02/97/73/466029773.db2.gz AIBLJCQBVDQYOC-ZRNYENFQSA-N 2 0 332.488 2.277 10 30 EEEERP C[C@H](CO)[NH+](CC#CC[N@@H+]([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347179014 466455066 /nfs/dbraw/zinc/45/50/66/466455066.db2.gz ZIMWHXLJCFBHEA-HDICACEKSA-N 2 0 336.520 2.241 10 30 EEEERP CC(C)([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1 ZINC000595637525 468933654 /nfs/dbraw/zinc/93/36/54/468933654.db2.gz ZUHMWKZTMSXPNY-UHFFFAOYSA-N 2 0 340.471 2.126 10 30 EEEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001485649031 1191869720 /nfs/dbraw/zinc/86/97/20/1191869720.db2.gz DYQGRNWKCOQSNO-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001671297894 1176810174 /nfs/dbraw/zinc/81/01/74/1176810174.db2.gz IGAJATVWFLOZHX-KRWDZBQOSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001266948222 1177872390 /nfs/dbraw/zinc/87/23/90/1177872390.db2.gz LNAJWWOZDWCXDO-CRAIPNDOSA-N 2 0 347.890 2.270 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC([C@H](C)[NH2+]CCCC)CC2)CC1 ZINC001267222519 1178532515 /nfs/dbraw/zinc/53/25/15/1178532515.db2.gz NXDZVCGAKGCMJK-KRWDZBQOSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001481120043 1179799647 /nfs/dbraw/zinc/79/96/47/1179799647.db2.gz WEMOEXRKRMLAIB-HKUYNNGSSA-N 2 0 327.472 2.141 10 30 EEEERP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001267751950 1180412209 /nfs/dbraw/zinc/41/22/09/1180412209.db2.gz DBSPLSWGFZMIBS-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001267938350 1180793921 /nfs/dbraw/zinc/79/39/21/1180793921.db2.gz TYOQBCWHEIOJPC-WOJBJXKFSA-N 2 0 339.483 2.433 10 30 EEEERP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCCn1ccnc1C ZINC001268192428 1181985750 /nfs/dbraw/zinc/98/57/50/1181985750.db2.gz ONMCZSYJIJRBQR-AEFFLSMTSA-N 2 0 330.476 2.212 10 30 EEEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001691501367 1182090651 /nfs/dbraw/zinc/09/06/51/1182090651.db2.gz OULBHCYDYIYVNP-MPGHIAIKSA-N 2 0 345.491 2.241 10 30 EEEERP CN(CCC[NH2+]Cc1ccc(C#N)cc1)C(=O)C12CCC[NH+]1CCC2 ZINC001268804364 1183722607 /nfs/dbraw/zinc/72/26/07/1183722607.db2.gz ANYFFBHXTCIEJI-UHFFFAOYSA-N 2 0 340.471 2.125 10 30 EEEERP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC001268944025 1183840583 /nfs/dbraw/zinc/84/05/83/1183840583.db2.gz GWKZALOPGJKVQH-MPGHIAIKSA-N 2 0 343.475 2.041 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC001269187858 1184042694 /nfs/dbraw/zinc/04/26/94/1184042694.db2.gz YQNKQRAXKFRPPJ-GOSISDBHSA-N 2 0 347.890 2.224 10 30 EEEERP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001269570230 1184399498 /nfs/dbraw/zinc/39/94/98/1184399498.db2.gz GADKOILGMYRHGP-IPQPSQTFSA-N 2 0 349.519 2.175 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2CCC)cc1 ZINC001270065842 1184823527 /nfs/dbraw/zinc/82/35/27/1184823527.db2.gz ZARWSBFABLPATG-LJQANCHMSA-N 2 0 327.472 2.290 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CC(CC)CC)C2)CC1 ZINC001271713060 1186388329 /nfs/dbraw/zinc/38/83/29/1186388329.db2.gz XBOFTFKKRTYJGL-XLIONFOSSA-N 2 0 347.547 2.452 10 30 EEEERP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC(C)C)n3ccnc3)[C@@H]2C1 ZINC001272079169 1187419246 /nfs/dbraw/zinc/41/92/46/1187419246.db2.gz ZAZUTGMDLGMEHS-IPMKNSEASA-N 2 0 342.487 2.416 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CC=C(Cl)Cl)CC1 ZINC001482969619 1187910124 /nfs/dbraw/zinc/91/01/24/1187910124.db2.gz HUWWQJQPJMODBF-UHFFFAOYSA-N 2 0 346.302 2.089 10 30 EEEERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1Cl ZINC001485955894 1193648117 /nfs/dbraw/zinc/64/81/17/1193648117.db2.gz RBOYBSWEWULEDD-MRXNPFEDSA-N 2 0 347.890 2.224 10 30 EEEERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483272246 1190296249 /nfs/dbraw/zinc/29/62/49/1190296249.db2.gz PYBRFRJOAXKTRZ-YOEHRIQHSA-N 2 0 348.516 2.477 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)[C@H]1C ZINC001486093825 1193679364 /nfs/dbraw/zinc/67/93/64/1193679364.db2.gz QESRHMOVJGUHGM-RDTXWAMCSA-N 2 0 346.450 2.118 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272968232 1194277067 /nfs/dbraw/zinc/27/70/67/1194277067.db2.gz YJCXLAYEYUXBJZ-KSSFIOAISA-N 2 0 346.450 2.166 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001411215789 1198924495 /nfs/dbraw/zinc/92/44/95/1198924495.db2.gz WRGCEFPGUZWIQM-GJZGRUSLSA-N 2 0 327.900 2.201 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000876967840 1199832383 /nfs/dbraw/zinc/83/23/83/1199832383.db2.gz MCPFGLJSDLQSOX-SJORKVTESA-N 2 0 335.879 2.232 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001275407808 1205344489 /nfs/dbraw/zinc/34/44/89/1205344489.db2.gz WFCPBGQHPVJWFG-DOTOQJQBSA-N 2 0 347.890 2.128 10 30 EEEERP CC1(C)C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]([NH3+])C1 ZINC000925650508 1206139757 /nfs/dbraw/zinc/13/97/57/1206139757.db2.gz PNTQVESSGWIPBG-FGTMMUONSA-N 2 0 340.471 2.155 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000928655104 1206408457 /nfs/dbraw/zinc/40/84/57/1206408457.db2.gz KOKBJSQEYACCBK-UHFFFAOYSA-N 2 0 339.439 2.322 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001691861430 1277986602 /nfs/dbraw/zinc/98/66/02/1277986602.db2.gz WPSGNKVQCGIVBD-RTBURBONSA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001273807817 1286205118 /nfs/dbraw/zinc/20/51/18/1286205118.db2.gz UDSWUWPQWSZXSE-LJQANCHMSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001277474049 1303559770 /nfs/dbraw/zinc/55/97/70/1303559770.db2.gz MRQKEEHOJNPVJL-HXUWFJFHSA-N 2 0 331.504 2.200 10 30 EEEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001264126682 1322635495 /nfs/dbraw/zinc/63/54/95/1322635495.db2.gz WSOSGLJZSUYXMM-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001264194521 1322660878 /nfs/dbraw/zinc/66/08/78/1322660878.db2.gz AJOIFTRYFHXSQK-IAGOWNOFSA-N 2 0 339.524 2.136 10 30 EEEERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC001265119432 1322929465 /nfs/dbraw/zinc/92/94/65/1322929465.db2.gz GAUDHTYUBKBOHY-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001265336007 1323083599 /nfs/dbraw/zinc/08/35/99/1323083599.db2.gz NNAWMXJQDCGOFY-ROUUACIJSA-N 2 0 331.504 2.101 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001284244348 1326472745 /nfs/dbraw/zinc/47/27/45/1326472745.db2.gz JJLJVAUIOLWPBO-HOTGVXAUSA-N 2 0 331.460 2.243 10 30 EEEERP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001284244347 1326472919 /nfs/dbraw/zinc/47/29/19/1326472919.db2.gz JJLJVAUIOLWPBO-CVEARBPZSA-N 2 0 331.460 2.243 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001491956784 1330349076 /nfs/dbraw/zinc/34/90/76/1330349076.db2.gz VWMNJANFMLELBX-FQEVSTJZSA-N 2 0 341.499 2.303 10 30 EEEERP C=C(Br)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492067397 1330440388 /nfs/dbraw/zinc/44/03/88/1330440388.db2.gz GGWLDDUTJAXOON-ZDUSSCGKSA-N 2 0 346.313 2.254 10 30 EEEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001316727577 1331844089 /nfs/dbraw/zinc/84/40/89/1331844089.db2.gz NJHPAJKIIOTZNP-GJZGRUSLSA-N 2 0 347.425 2.275 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001317355088 1332192169 /nfs/dbraw/zinc/19/21/69/1332192169.db2.gz KZXFIJHTBTXENQ-MOPGFXCFSA-N 2 0 345.462 2.146 10 30 EEEERP CC#CC[NH2+]CCc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001317365594 1332196984 /nfs/dbraw/zinc/19/69/84/1332196984.db2.gz DOOFPAQQMHPWKR-HXUWFJFHSA-N 2 0 341.499 2.333 10 30 EEEERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]CC#Cc1ccccc1 ZINC001319195246 1332663570 /nfs/dbraw/zinc/66/35/70/1332663570.db2.gz GJODJRJWILGBFK-AZUAARDMSA-N 2 0 341.499 2.254 10 30 EEEERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001320607305 1332920312 /nfs/dbraw/zinc/92/03/12/1332920312.db2.gz IUPXKSYEXIDRGC-SUMWQHHRSA-N 2 0 334.439 2.022 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)CCC[NH+](C)C ZINC001320827774 1332961051 /nfs/dbraw/zinc/96/10/51/1332961051.db2.gz YCSVCDYSCFFDSE-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CCCC(C)(C)C)CC1 ZINC001321416930 1333098576 /nfs/dbraw/zinc/09/85/76/1333098576.db2.gz MNCUQVQPDQGOIW-SREVYHEPSA-N 2 0 333.520 2.420 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001325656341 1333934393 /nfs/dbraw/zinc/93/43/93/1333934393.db2.gz NYPZSOJTBNIWNI-MKXGPGLRSA-N 2 0 331.504 2.149 10 30 EEEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001325740806 1333951008 /nfs/dbraw/zinc/95/10/08/1333951008.db2.gz OMLBRXHEUZMZAG-FJIDUMEYSA-N 2 0 339.499 2.411 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001327173803 1334240191 /nfs/dbraw/zinc/24/01/91/1334240191.db2.gz UGZAOBYQYUPPRL-MOPGFXCFSA-N 2 0 333.520 2.491 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001328805262 1334524942 /nfs/dbraw/zinc/52/49/42/1334524942.db2.gz DRGVIJZEYWKZRG-RTBURBONSA-N 2 0 333.520 2.302 10 30 EEEERP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC#Cc2ccccc2)C1 ZINC001328877120 1334539454 /nfs/dbraw/zinc/53/94/54/1334539454.db2.gz WKCZCLULJJCQMM-MHJFOBGBSA-N 2 0 339.483 2.007 10 30 EEEERP C#CCC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001331177439 1334976177 /nfs/dbraw/zinc/97/61/77/1334976177.db2.gz UQQGCELGCFQMMH-RTBURBONSA-N 2 0 327.472 2.189 10 30 EEEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001333023139 1335949743 /nfs/dbraw/zinc/94/97/43/1335949743.db2.gz YFJYKZKHSBVCBR-UONOGXRCSA-N 2 0 335.414 2.273 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001506678560 1342311333 /nfs/dbraw/zinc/31/13/33/1342311333.db2.gz JPTOGBQZJCYFEW-ROUUACIJSA-N 2 0 347.547 2.450 10 30 EEEERP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001571064283 1343159271 /nfs/dbraw/zinc/15/92/71/1343159271.db2.gz OFEWRDXESCRSBZ-RLLQIKCJSA-N 2 0 333.520 2.301 10 30 EEEERP C=C(C[NH+](C)C)C(=O)Nc1cccc(C(=O)OCC[NH+](CC)CC)c1 ZINC001634998467 1352638124 /nfs/dbraw/zinc/63/81/24/1352638124.db2.gz RBUBZFGCNRLHIV-UHFFFAOYSA-N 2 0 347.459 2.242 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001671251905 1354003390 /nfs/dbraw/zinc/00/33/90/1354003390.db2.gz PODXMWGVGMTOHY-VQIMIIECSA-N 2 0 331.504 2.101 10 30 EEEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001656345926 1354224715 /nfs/dbraw/zinc/22/47/15/1354224715.db2.gz DSZNIUPNOGJRTG-AZUAARDMSA-N 2 0 341.499 2.302 10 30 EEEERP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001656664996 1354261344 /nfs/dbraw/zinc/26/13/44/1354261344.db2.gz LTBRHYLYUHRVDN-RTBURBONSA-N 2 0 329.488 2.489 10 30 EEEERP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001661977033 1354731842 /nfs/dbraw/zinc/73/18/42/1354731842.db2.gz IWMBVIYYTVGGBX-ZWKOTPCHSA-N 2 0 331.504 2.197 10 30 EEEERP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001664241858 1355120499 /nfs/dbraw/zinc/12/04/99/1355120499.db2.gz XCDPWRDIGAXHBV-YOEHRIQHSA-N 2 0 346.500 2.185 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001665686334 1355360812 /nfs/dbraw/zinc/36/08/12/1355360812.db2.gz HZWIYKAUZPWBTF-IEBWSBKVSA-N 2 0 331.504 2.219 10 30 EEEERP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCc2cncn2C1 ZINC001667268167 1355693666 /nfs/dbraw/zinc/69/36/66/1355693666.db2.gz SZRCTVPTIVSHOD-IRXDYDNUSA-N 2 0 330.476 2.382 10 30 EEEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001674347454 1356822572 /nfs/dbraw/zinc/82/25/72/1356822572.db2.gz FUFWSVBFRBYSRV-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CC=C(C)C)CC1 ZINC001674499406 1356848234 /nfs/dbraw/zinc/84/82/34/1356848234.db2.gz IBRDKJJMZFMYHO-IBGZPJMESA-N 2 0 331.504 2.221 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001675786719 1357049564 /nfs/dbraw/zinc/04/95/64/1357049564.db2.gz WXUVRDGZNSVHNM-JCNLHEQBSA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC[N@@H+](C)CC3CC3)CC2)CC1 ZINC001698956242 1405188050 /nfs/dbraw/zinc/18/80/50/1405188050.db2.gz QGQUQYNQQAMSRA-UHFFFAOYSA-N 2 0 345.531 2.302 10 30 EEEERP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001699827782 1405513684 /nfs/dbraw/zinc/51/36/84/1405513684.db2.gz SDLDSWSSASQTQS-FQEVSTJZSA-N 2 0 342.487 2.371 10 30 EEEERP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743524 779231281 /nfs/dbraw/zinc/23/12/81/779231281.db2.gz CCPHQIVFQIRMCZ-HKUYNNGSSA-N 2 0 345.531 2.491 10 30 EEEERP C#CCOc1ccc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cc1 ZINC000925843265 779402477 /nfs/dbraw/zinc/40/24/77/779402477.db2.gz DKIJKDNZJVIMIF-SFHVURJKSA-N 2 0 329.488 2.425 10 30 EEEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076614 779797332 /nfs/dbraw/zinc/79/73/32/779797332.db2.gz YRQRXWXGQPLVLI-MSOLQXFVSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)CC2(C)C)CC1 ZINC000941237517 780225727 /nfs/dbraw/zinc/22/57/27/780225727.db2.gz OEJWYSPURKOFME-IBGZPJMESA-N 2 0 345.531 2.348 10 30 EEEERP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001566045394 1125522061 /nfs/dbraw/zinc/52/20/61/1125522061.db2.gz WYJWJYAXOKPHMB-YDZRNGNQSA-N 2 0 333.520 2.463 10 30 EEEERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1ccccc1C#N ZINC001566471172 1125631972 /nfs/dbraw/zinc/63/19/72/1125631972.db2.gz PQPSOBPBZJRIQO-UHFFFAOYSA-N 2 0 340.471 2.125 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001445504455 1091282182 /nfs/dbraw/zinc/28/21/82/1091282182.db2.gz VSFDTJGYHJHZLK-OAHLLOKOSA-N 2 0 346.450 2.168 10 30 EEEERP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001439286649 1091946014 /nfs/dbraw/zinc/94/60/14/1091946014.db2.gz GGOCGHJENDAQEK-UONOGXRCSA-N 2 0 346.313 2.110 10 30 EEEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001479690075 1098753043 /nfs/dbraw/zinc/75/30/43/1098753043.db2.gz XTDOZLDYKMWAPG-SFHVURJKSA-N 2 0 331.504 2.247 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001480045371 1099548063 /nfs/dbraw/zinc/54/80/63/1099548063.db2.gz WNAZRAQWWBTBBA-SFHVURJKSA-N 2 0 347.890 2.128 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@@H](C)C1 ZINC001444797761 1099712661 /nfs/dbraw/zinc/71/26/61/1099712661.db2.gz WQXPRVXQZBLNMU-LPHOPBHVSA-N 2 0 342.487 2.225 10 30 EEEERP C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444826778 1099771742 /nfs/dbraw/zinc/77/17/42/1099771742.db2.gz YTNNMQNOURMDQE-APWZRJJASA-N 2 0 342.487 2.227 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001480218537 1099835664 /nfs/dbraw/zinc/83/56/64/1099835664.db2.gz MCZJNVSKJAKGCH-FGTMMUONSA-N 2 0 345.874 2.023 10 30 EEEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001480289486 1100001099 /nfs/dbraw/zinc/00/10/99/1100001099.db2.gz FVEYICWNGIHAKM-KRWDZBQOSA-N 2 0 329.488 2.419 10 30 EEEERP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001447860158 1103463995 /nfs/dbraw/zinc/46/39/95/1103463995.db2.gz AYVSJAPZLGURMX-CABCVRRESA-N 2 0 328.460 2.025 10 30 EEEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494082373 1103495224 /nfs/dbraw/zinc/49/52/24/1103495224.db2.gz FDICQXBVKSLGPF-RBUKOAKNSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001480701697 1106914766 /nfs/dbraw/zinc/91/47/66/1106914766.db2.gz MPHXFSACMJEDFB-PMACEKPBSA-N 2 0 341.499 2.201 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001498197827 1107068200 /nfs/dbraw/zinc/06/82/00/1107068200.db2.gz WWKVENXRWFNZHD-MAUKXSAKSA-N 2 0 328.460 2.027 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001493546160 1108293595 /nfs/dbraw/zinc/29/35/95/1108293595.db2.gz NGAXCSWUTWJRPF-LJQANCHMSA-N 2 0 345.462 2.098 10 30 EEEERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)CCN1C(=O)CC[NH+](C)C ZINC001499844356 1112509961 /nfs/dbraw/zinc/50/99/61/1112509961.db2.gz MXRRISRRCMSMMA-PBHICJAKSA-N 2 0 346.450 2.118 10 30 EEEERP C#CCC[NH+]1CCC(C)(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001499997929 1112571692 /nfs/dbraw/zinc/57/16/92/1112571692.db2.gz XLJBLCZJFURCHX-IBGZPJMESA-N 2 0 337.483 2.193 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccccc1C#N)C1CCCC1 ZINC001500107761 1112621122 /nfs/dbraw/zinc/62/11/22/1112621122.db2.gz UWDVQRJPQGDQCG-LJQANCHMSA-N 2 0 342.487 2.275 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001500519370 1112911932 /nfs/dbraw/zinc/91/19/32/1112911932.db2.gz NKNHUPQOIZHJNH-GOSISDBHSA-N 2 0 348.516 2.290 10 30 EEEERP C#CCC[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C(C)(C)C ZINC001507969410 1115382203 /nfs/dbraw/zinc/38/22/03/1115382203.db2.gz ILSCCZVEZYPOCA-KRWDZBQOSA-N 2 0 326.444 2.400 10 30 EEEERP CN(CCC[NH2+]Cc1ccc(C#N)s1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001569211381 1125167917 /nfs/dbraw/zinc/16/79/17/1125167917.db2.gz ZEIVVDVOFBDDBJ-OAHLLOKOSA-N 2 0 348.516 2.432 10 30 EEEERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sccc1C#N ZINC000101518378 285250255 /nfs/dbraw/zinc/25/02/55/285250255.db2.gz INHGFQDUNHHGNV-OAHLLOKOSA-N 2 0 334.489 2.108 10 30 EEEERP C[NH+](C)CC1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000570794798 319698267 /nfs/dbraw/zinc/69/82/67/319698267.db2.gz HLAFGEMFDYJBCT-UHFFFAOYSA-N 2 0 349.500 2.042 10 30 EEEERP C(#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)C[NH+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000366941211 466030582 /nfs/dbraw/zinc/03/05/82/466030582.db2.gz AIBLJCQBVDQYOC-YRPNKDGESA-N 2 0 332.488 2.277 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528722146 467738419 /nfs/dbraw/zinc/73/84/19/467738419.db2.gz QTABDOCVLXUAAK-UHFFFAOYSA-N 2 0 344.459 2.331 10 30 EEEERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438654 468587610 /nfs/dbraw/zinc/58/76/10/468587610.db2.gz PHLPYIJAQNJHMS-QRQLOZEOSA-N 2 0 342.487 2.424 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000594441208 468589563 /nfs/dbraw/zinc/58/95/63/468589563.db2.gz OUJPYJMHVLKWDQ-GOSISDBHSA-N 2 0 328.460 2.310 10 30 EEEERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594443931 468590433 /nfs/dbraw/zinc/59/04/33/468590433.db2.gz JVNGIJFDKMVUHA-KRWDZBQOSA-N 2 0 334.439 2.127 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 ZINC000928648560 686019195 /nfs/dbraw/zinc/01/91/95/686019195.db2.gz MWWOURMJYMMMQT-QGZVFWFLSA-N 2 0 333.863 2.157 10 30 EEEERP C[NH+]=C(NC[C@@H](O)C1CCCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262790085 688473870 /nfs/dbraw/zinc/47/38/70/688473870.db2.gz NSNMORATZZXXDT-HQSKLWIPSA-N 2 0 336.524 2.108 10 30 EEEERP CC[NH+]=C(NCc1ncccc1C)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000097013646 693254367 /nfs/dbraw/zinc/25/43/67/693254367.db2.gz VRAQNGBUDRPIEJ-INIZCTEOSA-N 2 0 329.492 2.462 10 30 EEEERP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001485658522 1191878910 /nfs/dbraw/zinc/87/89/10/1191878910.db2.gz VQYJDKLNKDBJTR-ZCNNSNEGSA-N 2 0 345.531 2.493 10 30 EEEERP C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001671497186 1176842106 /nfs/dbraw/zinc/84/21/06/1176842106.db2.gz NPYUAKMFTIXERY-MJGOQNOKSA-N 2 0 331.504 2.338 10 30 EEEERP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266891841 1177728821 /nfs/dbraw/zinc/72/88/21/1177728821.db2.gz RQCULUFKPZULOY-MSOLQXFVSA-N 2 0 333.520 2.348 10 30 EEEERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001267307777 1178730445 /nfs/dbraw/zinc/73/04/45/1178730445.db2.gz GZTIALMLFDJJAF-QGZVFWFLSA-N 2 0 348.516 2.431 10 30 EEEERP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001267315857 1178743521 /nfs/dbraw/zinc/74/35/21/1178743521.db2.gz XTDHHFLFWMCMKF-LJQANCHMSA-N 2 0 329.488 2.207 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H](C)[NH2+]CCC3CC3)CC2)CC1 ZINC001481343094 1181076051 /nfs/dbraw/zinc/07/60/51/1181076051.db2.gz LXNWRVXKYJYBJW-QGZVFWFLSA-N 2 0 345.531 2.348 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001481526559 1181647111 /nfs/dbraw/zinc/64/71/11/1181647111.db2.gz MODLWGTZKPOKLZ-OTWHNJEPSA-N 2 0 333.520 2.347 10 30 EEEERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001268094980 1181734933 /nfs/dbraw/zinc/73/49/33/1181734933.db2.gz QUQPNQCTZPPOHW-QAPCUYQASA-N 2 0 349.906 2.468 10 30 EEEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001481984434 1183087189 /nfs/dbraw/zinc/08/71/89/1183087189.db2.gz MDRYJYYDSUSJSO-RTBURBONSA-N 2 0 333.520 2.350 10 30 EEEERP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1COCCN1C1CCCC1 ZINC001268822331 1183741010 /nfs/dbraw/zinc/74/10/10/1183741010.db2.gz MYTADKHZBOVAJI-GOSISDBHSA-N 2 0 337.508 2.034 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001270194548 1184913086 /nfs/dbraw/zinc/91/30/86/1184913086.db2.gz UADREJLXSTUUFQ-MRXNPFEDSA-N 2 0 331.460 2.339 10 30 EEEERP C[C@H]1C[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@@H+]1C ZINC000329833572 1185284412 /nfs/dbraw/zinc/28/44/12/1185284412.db2.gz GMRFYRIMNJQSDB-ONIAQPFYSA-N 2 0 337.508 2.441 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272780575 1193495251 /nfs/dbraw/zinc/49/52/51/1193495251.db2.gz AMSFEZAJXFDRBS-JJRVBVJISA-N 2 0 346.450 2.022 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCc1ccccc1 ZINC001483348794 1190384630 /nfs/dbraw/zinc/38/46/30/1190384630.db2.gz APUWACYXSYVJSG-ICSRJNTNSA-N 2 0 341.499 2.153 10 30 EEEERP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001483616459 1190591903 /nfs/dbraw/zinc/59/19/03/1190591903.db2.gz SBJNKCZCGDNRSC-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001484383797 1191322875 /nfs/dbraw/zinc/32/28/75/1191322875.db2.gz CUUXALRAXHEYEH-PKOBYXMFSA-N 2 0 347.547 2.452 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC)([NH2+]CC(C)C)CC2)CC1 ZINC001484820318 1191539774 /nfs/dbraw/zinc/53/97/74/1191539774.db2.gz NVLSQVWRYXXGTK-UHFFFAOYSA-N 2 0 333.520 2.348 10 30 EEEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001485031220 1191621432 /nfs/dbraw/zinc/62/14/32/1191621432.db2.gz VTRGXIFNJZFRIK-QGZVFWFLSA-N 2 0 330.476 2.192 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC=C)[C@H]2C)CC1 ZINC001486185844 1193726638 /nfs/dbraw/zinc/72/66/38/1193726638.db2.gz DQWJSLCDRCJJJO-HKUYNNGSSA-N 2 0 331.504 2.267 10 30 EEEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001691680935 1197485721 /nfs/dbraw/zinc/48/57/21/1197485721.db2.gz MWNBWVCTHNAIFK-IPMKNSEASA-N 2 0 333.520 2.395 10 30 EEEERP C#C[C@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000876443930 1199631633 /nfs/dbraw/zinc/63/16/33/1199631633.db2.gz VHLFVVQUEJFADE-FHWLQOOXSA-N 2 0 348.535 2.236 10 30 EEEERP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001274229694 1204969283 /nfs/dbraw/zinc/96/92/83/1204969283.db2.gz PKAVMTXEZVDYSG-QFBILLFUSA-N 2 0 329.488 2.417 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CC/C=C/CC)C2)CC1 ZINC001274300073 1204990419 /nfs/dbraw/zinc/99/04/19/1204990419.db2.gz WCKJVIQTCXIDGO-BUPXIBQPSA-N 2 0 331.504 2.124 10 30 EEEERP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001274960614 1205217625 /nfs/dbraw/zinc/21/76/25/1205217625.db2.gz RDUFPGWNSUTELX-MOPGFXCFSA-N 2 0 331.504 2.197 10 30 EEEERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)cc1F ZINC000925860035 1206162562 /nfs/dbraw/zinc/16/25/62/1206162562.db2.gz YVIBYUWQOBRDHC-OCCSQVGLSA-N 2 0 331.391 2.033 10 30 EEEERP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001276318421 1215696000 /nfs/dbraw/zinc/69/60/00/1215696000.db2.gz BQPCSLTYWXMUQM-VQIMIIECSA-N 2 0 337.483 2.193 10 30 EEEERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cc(C#N)ccc1F ZINC001490360399 1291299250 /nfs/dbraw/zinc/29/92/50/1291299250.db2.gz CIIPTNNLTKWOBT-UHFFFAOYSA-N 2 0 346.450 2.121 10 30 EEEERP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852863865 1292219307 /nfs/dbraw/zinc/21/93/07/1292219307.db2.gz SNLXQKYARCXTNU-PKOBYXMFSA-N 2 0 331.504 2.102 10 30 EEEERP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852883030 1292224084 /nfs/dbraw/zinc/22/40/84/1292224084.db2.gz DSUOUIQMYHDMCK-UHFFFAOYSA-N 2 0 341.499 2.012 10 30 EEEERP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852886958 1292225069 /nfs/dbraw/zinc/22/50/69/1292225069.db2.gz ALBVFIYXEGECHY-XLIONFOSSA-N 2 0 339.483 2.016 10 30 EEEERP CCC[NH+]1CCN(c2ccccc2C=[NH+]N2CCC[C@@H]2CO)CC1 ZINC000841660730 1315592051 /nfs/dbraw/zinc/59/20/51/1315592051.db2.gz DTXSRWQYWNJRBO-GOSISDBHSA-N 2 0 330.476 2.009 10 30 EEEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001264120876 1322633427 /nfs/dbraw/zinc/63/34/27/1322633427.db2.gz SOTOPVWPGDEABI-MOPGFXCFSA-N 2 0 333.520 2.491 10 30 EEEERP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001264437243 1322701924 /nfs/dbraw/zinc/70/19/24/1322701924.db2.gz XOPDBNPFHHSQEL-WDSOQIARSA-N 2 0 345.462 2.002 10 30 EEEERP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001264448043 1322703439 /nfs/dbraw/zinc/70/34/39/1322703439.db2.gz QDBQRSBSFQMKFJ-VQTJNVASSA-N 2 0 341.499 2.326 10 30 EEEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265558313 1323219506 /nfs/dbraw/zinc/21/95/06/1323219506.db2.gz UYHZBIFUHWQNKM-RVKKMQEKSA-N 2 0 325.472 2.402 10 30 EEEERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001265824039 1323402698 /nfs/dbraw/zinc/40/26/98/1323402698.db2.gz OTLWTQKKRTXPFU-HZPDHXFCSA-N 2 0 347.890 2.128 10 30 EEEERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001265823262 1323402728 /nfs/dbraw/zinc/40/27/28/1323402728.db2.gz FUSJWYWUFKSNPU-KRWDZBQOSA-N 2 0 329.488 2.110 10 30 EEEERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001265852218 1323425873 /nfs/dbraw/zinc/42/58/73/1323425873.db2.gz XVFHXWCQOYTMMT-CVEARBPZSA-N 2 0 347.890 2.128 10 30 EEEERP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001266056320 1323607229 /nfs/dbraw/zinc/60/72/29/1323607229.db2.gz NRYVLUNIWQHTBP-IRXDYDNUSA-N 2 0 347.507 2.042 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001279273883 1323862122 /nfs/dbraw/zinc/86/21/22/1323862122.db2.gz WHEDZVAVPQEQGQ-GUDVDZBRSA-N 2 0 333.520 2.254 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(F)c1 ZINC001279710388 1323983879 /nfs/dbraw/zinc/98/38/79/1323983879.db2.gz RBEACDNYQSIFBT-GOSISDBHSA-N 2 0 345.462 2.429 10 30 EEEERP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001280332844 1324159103 /nfs/dbraw/zinc/15/91/03/1324159103.db2.gz BHNZDTIKWCBSJA-QGZVFWFLSA-N 2 0 327.472 2.100 10 30 EEEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001281845314 1325485229 /nfs/dbraw/zinc/48/52/29/1325485229.db2.gz XFFRGMOIXWVINO-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP CC[C@@H](C(=O)N[C@@H](C)CCC[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001283239849 1325967010 /nfs/dbraw/zinc/96/70/10/1325967010.db2.gz POZCRWPUKCRFBO-LPHOPBHVSA-N 2 0 347.478 2.392 10 30 EEEERP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001284098219 1326405937 /nfs/dbraw/zinc/40/59/37/1326405937.db2.gz YANBXVDFWOZRSQ-FGTMMUONSA-N 2 0 331.504 2.101 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001491683247 1330204710 /nfs/dbraw/zinc/20/47/10/1330204710.db2.gz RDDNCHGUEBXMLF-CRAIPNDOSA-N 2 0 328.460 2.027 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001492128834 1330982114 /nfs/dbraw/zinc/98/21/14/1330982114.db2.gz GNDFGXZPIDWYAX-VQIMIIECSA-N 2 0 342.487 2.417 10 30 EEEERP C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001316844475 1331929700 /nfs/dbraw/zinc/92/97/00/1331929700.db2.gz QQWSTNMPNJHNIC-SFHVURJKSA-N 2 0 337.508 2.034 10 30 EEEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317157494 1332104316 /nfs/dbraw/zinc/10/43/16/1332104316.db2.gz JBXHWSGPKIFJDH-QAPCUYQASA-N 2 0 325.472 2.213 10 30 EEEERP C=CCCCCC[N@@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001319307514 1332679457 /nfs/dbraw/zinc/67/94/57/1332679457.db2.gz HTIWPESELAPBHU-SFHVURJKSA-N 2 0 349.519 2.178 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)N(C)C(=O)CC[NH+](C)C ZINC001319525379 1332716025 /nfs/dbraw/zinc/71/60/25/1332716025.db2.gz NTPVEWPYIXRLTE-OAHLLOKOSA-N 2 0 335.879 2.080 10 30 EEEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001323733307 1333526670 /nfs/dbraw/zinc/52/66/70/1333526670.db2.gz DYVXHWXTHOUWDR-QGZVFWFLSA-N 2 0 342.487 2.335 10 30 EEEERP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001325051812 1333819370 /nfs/dbraw/zinc/81/93/70/1333819370.db2.gz RXHYAETWXBUYQK-OWCLPIDISA-N 2 0 343.462 2.366 10 30 EEEERP C#CC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C2)CC1 ZINC001326603271 1334123283 /nfs/dbraw/zinc/12/32/83/1334123283.db2.gz JLWVTQMLDAPRIF-IBGZPJMESA-N 2 0 339.483 2.237 10 30 EEEERP C=CCC[C@H](C)[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)O2 ZINC001327359351 1334276237 /nfs/dbraw/zinc/27/62/37/1334276237.db2.gz NGULTGAGCWHWIQ-WMZOPIPTSA-N 2 0 349.519 2.175 10 30 EEEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001330926084 1334928034 /nfs/dbraw/zinc/92/80/34/1334928034.db2.gz HIWNAXQXCPWBAG-SXLOBPIMSA-N 2 0 341.499 2.230 10 30 EEEERP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC001332221878 1335773494 /nfs/dbraw/zinc/77/34/94/1335773494.db2.gz PIHPVUNRYYQEEO-MOPGFXCFSA-N 2 0 329.488 2.364 10 30 EEEERP Cc1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)ccc1N1CC[NH+](C)CC1 ZINC001332944948 1335934929 /nfs/dbraw/zinc/93/49/29/1335934929.db2.gz DNSUHRNUVUYMET-KRWDZBQOSA-N 2 0 343.475 2.097 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001502546149 1342208428 /nfs/dbraw/zinc/20/84/28/1342208428.db2.gz PGIXPTYLIJYQKN-QGZVFWFLSA-N 2 0 327.900 2.395 10 30 EEEERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001676480451 1357155145 /nfs/dbraw/zinc/15/51/45/1357155145.db2.gz BNPVHVIWPZCEQE-WBVHZDCISA-N 2 0 347.890 2.080 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(CC)CC)[C@@H]2C)CC1 ZINC001676693775 1357181975 /nfs/dbraw/zinc/18/19/75/1357181975.db2.gz NUVRUKQMBXUGIB-QFBILLFUSA-N 2 0 333.520 2.347 10 30 EEEERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001676973900 1357252835 /nfs/dbraw/zinc/25/28/35/1357252835.db2.gz CHXFTMZPYKYJTR-UXHICEINSA-N 2 0 339.483 2.008 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC=C(C)C)CCCC2)CC1 ZINC001666808142 1355593681 /nfs/dbraw/zinc/59/36/81/1355593681.db2.gz AMNBSFXOPHYPMT-UHFFFAOYSA-N 2 0 331.504 2.316 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001667139964 1355655953 /nfs/dbraw/zinc/65/59/53/1355655953.db2.gz PNSJEGBBNRSVLU-WDSOQIARSA-N 2 0 333.520 2.395 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001668092153 1355868376 /nfs/dbraw/zinc/86/83/76/1355868376.db2.gz KGKUWDZKKYRDIU-CQSZACIVSA-N 2 0 346.450 2.166 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CC#Cc2ccccc2)C1 ZINC001671805069 1356418343 /nfs/dbraw/zinc/41/83/43/1356418343.db2.gz LJNAUYBNHKUDMS-OAQYLSRUSA-N 2 0 341.499 2.208 10 30 EEEERP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001673168547 1356650882 /nfs/dbraw/zinc/65/08/82/1356650882.db2.gz PUXCHPZNRAEAAY-QGZVFWFLSA-N 2 0 331.504 2.293 10 30 EEEERP C=CCOCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001673376759 1356679580 /nfs/dbraw/zinc/67/95/80/1356679580.db2.gz UWMOZSABUCNKFQ-ROUUACIJSA-N 2 0 337.508 2.033 10 30 EEEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001674429816 1356830430 /nfs/dbraw/zinc/83/04/30/1356830430.db2.gz XHCPHJHZTUGRPV-QZTJIDSGSA-N 2 0 325.456 2.030 10 30 EEEERP C#CCC[NH2+]CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001698701532 1405018591 /nfs/dbraw/zinc/01/85/91/1405018591.db2.gz QBMUMYIZCHCVGU-UHFFFAOYSA-N 2 0 333.520 2.348 10 30 EEEERP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001699113237 1405268346 /nfs/dbraw/zinc/26/83/46/1405268346.db2.gz OZEJIRLFQLCORQ-ZDUSSCGKSA-N 2 0 344.297 2.008 10 30 EEEERP C=C(Br)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001699265696 1405306692 /nfs/dbraw/zinc/30/66/92/1405306692.db2.gz SGBBUAAPJGJBMB-ZRUQZJFASA-N 2 0 344.297 2.031 10 30 EEEERP C=CCOCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001699680976 1405437855 /nfs/dbraw/zinc/43/78/55/1405437855.db2.gz VAUYTNVVPFVOKY-QYZOEREBSA-N 2 0 349.519 2.127 10 30 EEEERP C=CCC[NH+]1CCC2(CO[C@H](CNC(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001699775012 1405481786 /nfs/dbraw/zinc/48/17/86/1405481786.db2.gz GJHNSOQTAWCCNG-KRWDZBQOSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001699983549 1405627613 /nfs/dbraw/zinc/62/76/13/1405627613.db2.gz KMWFCPNQMHEMKH-UHFFFAOYSA-N 2 0 327.472 2.114 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075407 779795031 /nfs/dbraw/zinc/79/50/31/779795031.db2.gz KMYWNOHNQYZARX-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941158487 780003483 /nfs/dbraw/zinc/00/34/83/780003483.db2.gz PKTZXRUWYSHYRD-IBGZPJMESA-N 2 0 345.531 2.348 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000914066325 794809520 /nfs/dbraw/zinc/80/95/20/794809520.db2.gz STTBVBFYRYBNQP-LJQANCHMSA-N 2 0 348.535 2.140 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000922415494 801010388 /nfs/dbraw/zinc/01/03/88/801010388.db2.gz VDFSTTVOBYGDDM-APWZRJJASA-N 2 0 342.487 2.075 10 30 EEEERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC001436795051 1088362309 /nfs/dbraw/zinc/36/23/09/1088362309.db2.gz GZPOYIVQYTYBEM-RTBURBONSA-N 2 0 340.471 2.027 10 30 EEEERP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001437221567 1089306103 /nfs/dbraw/zinc/30/61/03/1089306103.db2.gz NRJZSIWOTLNKAD-HNNXBMFYSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001437836745 1090423840 /nfs/dbraw/zinc/42/38/40/1090423840.db2.gz FQLXNFJLWAZBJP-WMLDXEAASA-N 2 0 339.911 2.297 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001438830923 1091452025 /nfs/dbraw/zinc/45/20/25/1091452025.db2.gz AHEKEOLINPATRL-QFBILLFUSA-N 2 0 342.487 2.130 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001440475181 1093703051 /nfs/dbraw/zinc/70/30/51/1093703051.db2.gz RPCMWCNAURWPLD-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001440928404 1094180530 /nfs/dbraw/zinc/18/05/30/1094180530.db2.gz JIZJYDZDQSUBMZ-APWZRJJASA-N 2 0 342.487 2.369 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001441903445 1096066828 /nfs/dbraw/zinc/06/68/28/1096066828.db2.gz UESJFFAIJYXGHP-RBUKOAKNSA-N 2 0 342.487 2.273 10 30 EEEERP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001442110272 1096335676 /nfs/dbraw/zinc/33/56/76/1096335676.db2.gz GWULQCYEBFCIHL-OAHLLOKOSA-N 2 0 346.450 2.168 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@](C)(C[NH2+]Cc1cc(C#N)ccc1F)C1CC1 ZINC001444122886 1098656618 /nfs/dbraw/zinc/65/66/18/1098656618.db2.gz DOMGNBXAGSLZGF-IBGZPJMESA-N 2 0 346.450 2.024 10 30 EEEERP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001496442649 1101033018 /nfs/dbraw/zinc/03/30/18/1101033018.db2.gz GVLXXMKEUGFSDP-ROUUACIJSA-N 2 0 333.520 2.348 10 30 EEEERP C[C@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C1CC[NH+](C)CC1 ZINC001497261063 1102213417 /nfs/dbraw/zinc/21/34/17/1102213417.db2.gz AFLMBVRIIPEZHS-CQSZACIVSA-N 2 0 346.450 2.024 10 30 EEEERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC001447908295 1103570441 /nfs/dbraw/zinc/57/04/41/1103570441.db2.gz SVAUNNLBCZJACL-KBPBESRZSA-N 2 0 334.439 2.022 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)Cc2ccccc2C#N)C1 ZINC001494179007 1103654191 /nfs/dbraw/zinc/65/41/91/1103654191.db2.gz OUAWOXLEWQYOJH-KRWDZBQOSA-N 2 0 342.487 2.179 10 30 EEEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001499357602 1112248801 /nfs/dbraw/zinc/24/88/01/1112248801.db2.gz XAXNQZMRWILQKQ-MSOLQXFVSA-N 2 0 327.472 2.146 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@H](C)[NH2+]CCC(=C)C)C2)CC1 ZINC001501093210 1113196710 /nfs/dbraw/zinc/19/67/10/1113196710.db2.gz XGSYKUQVNLNYTM-HKUYNNGSSA-N 2 0 331.504 2.124 10 30 EEEERP C#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001502404745 1113669243 /nfs/dbraw/zinc/66/92/43/1113669243.db2.gz MQXNILBZZQCRQN-MOPGFXCFSA-N 2 0 333.520 2.302 10 30 EEEERP C[C@H](CNC(=O)CCC[NH+](C)C)N(C)CC#Cc1cccc(Cl)c1 ZINC001505990958 1114325427 /nfs/dbraw/zinc/32/54/27/1114325427.db2.gz LFSYJPPWJIFDOU-MRXNPFEDSA-N 2 0 349.906 2.470 10 30 EEEERP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001506986076 1115032894 /nfs/dbraw/zinc/03/28/94/1115032894.db2.gz YUBKHUXAZSOEOG-PKOBYXMFSA-N 2 0 333.520 2.395 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](CC[NH2+]CCC=C)C2)CC1 ZINC001568076823 1124282140 /nfs/dbraw/zinc/28/21/40/1124282140.db2.gz RVCUWWVTLWVJIS-SFHVURJKSA-N 2 0 331.504 2.126 10 30 EEEERP C#CC[NH+]1CCC(CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001568130286 1124319174 /nfs/dbraw/zinc/31/91/74/1124319174.db2.gz QZDQNBGKVZPGKU-IBGZPJMESA-N 2 0 337.483 2.050 10 30 EEEERP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001568407687 1124476923 /nfs/dbraw/zinc/47/69/23/1124476923.db2.gz TUDDXZNWUVSRMA-MSOLQXFVSA-N 2 0 333.520 2.491 10 30 EEEERP CC#CC[N@H+](C)CCC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001568438125 1124507130 /nfs/dbraw/zinc/50/71/30/1124507130.db2.gz UKYOSSVNQKQMCY-UHFFFAOYSA-N 2 0 345.531 2.446 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCC2CC2)CC1 ZINC001568545445 1124604665 /nfs/dbraw/zinc/60/46/65/1124604665.db2.gz QEXAHMUZWSJKKR-OALUTQOASA-N 2 0 331.504 2.006 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001568671027 1124684238 /nfs/dbraw/zinc/68/42/38/1124684238.db2.gz JQJBHRUNAABDRC-CQSZACIVSA-N 2 0 346.450 2.024 10 30 EEEERP CN1CC[NH+]([C@@H]2CCCCN(Cc3ccc(F)cc3C#N)C2)CC1 ZINC000158995838 463263731 /nfs/dbraw/zinc/26/37/31/463263731.db2.gz MGRIEGFIOMIZFO-LJQANCHMSA-N 2 0 330.451 2.299 10 30 EEEERP C[C@H]1C[C@H](N(C)CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1C ZINC000123025592 463310213 /nfs/dbraw/zinc/31/02/13/463310213.db2.gz CMBZJVSTHVKCBN-FUHWJXTLSA-N 2 0 328.460 2.348 10 30 EEEERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCCC(C)(C)C#N)CC2)C1 ZINC000174849554 464458405 /nfs/dbraw/zinc/45/84/05/464458405.db2.gz HEABAZOIWRMHSF-GOSISDBHSA-N 2 0 336.524 2.043 10 30 EEEERP CC[N@H+](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000374892915 466759076 /nfs/dbraw/zinc/75/90/76/466759076.db2.gz IPNOPDDVDBYCGH-UHFFFAOYSA-N 2 0 340.471 2.145 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000594444378 468590383 /nfs/dbraw/zinc/59/03/83/468590383.db2.gz QCUXLHGASAXIOT-CGTJXYLNSA-N 2 0 346.450 2.046 10 30 EEEERP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659449950 471634582 /nfs/dbraw/zinc/63/45/82/471634582.db2.gz BWGUEFUSZMXBQJ-RTBURBONSA-N 2 0 342.487 2.082 10 30 EEEERP C=CC[C@@]1(C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662873275 472286259 /nfs/dbraw/zinc/28/62/59/472286259.db2.gz VQPIKXFWSKODRH-CTNGQTDRSA-N 2 0 341.499 2.460 10 30 EEEERP C[NH+]=C(NCc1nc(C)c(C)s1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000089062077 526389384 /nfs/dbraw/zinc/38/93/84/526389384.db2.gz OWASONRWMWHTQT-AWEZNQCLSA-N 2 0 335.521 2.442 10 30 EEEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001671504084 1176861133 /nfs/dbraw/zinc/86/11/33/1176861133.db2.gz NJCXOBZTKMUNMU-NVXWUHKLSA-N 2 0 325.472 2.001 10 30 EEEERP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@H](C)Cc2c[nH]cn2)cc1 ZINC001267098571 1178235683 /nfs/dbraw/zinc/23/56/83/1178235683.db2.gz SXTGWUNHAAIDRE-MRXNPFEDSA-N 2 0 338.455 2.060 10 30 EEEERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001267109127 1178264090 /nfs/dbraw/zinc/26/40/90/1178264090.db2.gz BZPLSWSZMHMXBW-KBPBESRZSA-N 2 0 334.489 2.041 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001267552529 1179343451 /nfs/dbraw/zinc/34/34/51/1179343451.db2.gz OKQAKUORBNLGDC-GOSISDBHSA-N 2 0 341.499 2.256 10 30 EEEERP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001481504862 1181585085 /nfs/dbraw/zinc/58/50/85/1181585085.db2.gz OYLOHYPEYMVQRG-PMACEKPBSA-N 2 0 341.499 2.159 10 30 EEEERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001268215878 1182026468 /nfs/dbraw/zinc/02/64/68/1182026468.db2.gz BVCGVKMGPSRELT-GOSISDBHSA-N 2 0 349.906 2.374 10 30 EEEERP C#CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001482028890 1183158788 /nfs/dbraw/zinc/15/87/88/1183158788.db2.gz FMBZENMCEXPCGF-UHFFFAOYSA-N 2 0 327.472 2.290 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCCC2CCCC2)CC1 ZINC001268673199 1183598919 /nfs/dbraw/zinc/59/89/19/1183598919.db2.gz BTQRMJPBLPDUKP-QGZVFWFLSA-N 2 0 333.520 2.396 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001270194547 1184912639 /nfs/dbraw/zinc/91/26/39/1184912639.db2.gz UADREJLXSTUUFQ-INIZCTEOSA-N 2 0 331.460 2.339 10 30 EEEERP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001270569865 1185178502 /nfs/dbraw/zinc/17/85/02/1185178502.db2.gz ZZPZADJWCAKWNF-QAPCUYQASA-N 2 0 349.906 2.374 10 30 EEEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001271508660 1186277831 /nfs/dbraw/zinc/27/78/31/1186277831.db2.gz NJKZUYHRHZXRGZ-CVEARBPZSA-N 2 0 339.443 2.284 10 30 EEEERP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC(C)C)n3ccnc3)[C@@H]2C1 ZINC001272079168 1187419191 /nfs/dbraw/zinc/41/91/91/1187419191.db2.gz ZAZUTGMDLGMEHS-GBESFXJTSA-N 2 0 342.487 2.416 10 30 EEEERP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)CCCn3ccnc3)CC2)C1 ZINC001670918913 1193525968 /nfs/dbraw/zinc/52/59/68/1193525968.db2.gz NQAAQNRLFNDFSI-IBGZPJMESA-N 2 0 342.487 2.247 10 30 EEEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001670940604 1193530189 /nfs/dbraw/zinc/53/01/89/1193530189.db2.gz TXIFKCBVHHQJSY-YQQQUEKLSA-N 2 0 331.504 2.243 10 30 EEEERP C[C@@H]([NH2+]Cc1cc(F)ccc1C#N)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001409400597 1189625723 /nfs/dbraw/zinc/62/57/23/1189625723.db2.gz VUDFJJGXORPCRF-KGLIPLIRSA-N 2 0 346.450 2.164 10 30 EEEERP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483241457 1190271581 /nfs/dbraw/zinc/27/15/81/1190271581.db2.gz YUAQLQXVNGUUTH-YJBOKZPZSA-N 2 0 347.890 2.270 10 30 EEEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001484138933 1191229971 /nfs/dbraw/zinc/22/99/71/1191229971.db2.gz SHLWHFOOJRFDTL-ZWKOTPCHSA-N 2 0 331.504 2.245 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001484143716 1191233261 /nfs/dbraw/zinc/23/32/61/1191233261.db2.gz OUEQOWHRMAICOT-ZWKOTPCHSA-N 2 0 331.504 2.245 10 30 EEEERP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001484340592 1191311268 /nfs/dbraw/zinc/31/12/68/1191311268.db2.gz AIWVGSHUTNOBCC-WMZOPIPTSA-N 2 0 329.488 2.417 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001484373057 1191320412 /nfs/dbraw/zinc/32/04/12/1191320412.db2.gz UQWVLBNVJKBJTR-HOCLYGCPSA-N 2 0 339.911 2.299 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000876875840 1199802237 /nfs/dbraw/zinc/80/22/37/1199802237.db2.gz CHPVYSSXNWUVBU-OAHLLOKOSA-N 2 0 345.821 2.325 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876901067 1199813020 /nfs/dbraw/zinc/81/30/20/1199813020.db2.gz XWSFBLHALAMHIP-UAGQMJEPSA-N 2 0 335.879 2.483 10 30 EEEERP C=C(C[NH+](C)C)C(=O)Nc1cc(C)cc(NC(=O)C(=C)C[NH+](C)C)c1 ZINC000870192804 1200545014 /nfs/dbraw/zinc/54/50/14/1200545014.db2.gz LNRICUHFSJGIAJ-UHFFFAOYSA-N 2 0 344.459 2.108 10 30 EEEERP C=CCCC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000880388158 1201476688 /nfs/dbraw/zinc/47/66/88/1201476688.db2.gz ISLFWHPXOILECQ-PMACEKPBSA-N 2 0 331.504 2.282 10 30 EEEERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000867959885 1201715831 /nfs/dbraw/zinc/71/58/31/1201715831.db2.gz CUNQDQSOECBVQI-DJJJIMSYSA-N 2 0 334.423 2.081 10 30 EEEERP CN(CCC[NH2+]Cc1cc(C#N)ccc1F)C(=O)C1([NH+](C)C)CCC1 ZINC001276048357 1205750951 /nfs/dbraw/zinc/75/09/51/1205750951.db2.gz QNEJGNQXIANPGT-UHFFFAOYSA-N 2 0 346.450 2.120 10 30 EEEERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000925608755 1206134798 /nfs/dbraw/zinc/13/47/98/1206134798.db2.gz JBMFZYOCSIDYDR-RDJZCZTQSA-N 2 0 327.476 2.418 10 30 EEEERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001491486903 1259136810 /nfs/dbraw/zinc/13/68/10/1259136810.db2.gz QYQRFERBBGELJG-MAUKXSAKSA-N 2 0 328.460 2.027 10 30 EEEERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852857760 1292218241 /nfs/dbraw/zinc/21/82/41/1292218241.db2.gz FGBZSXBUBXCZEC-UHFFFAOYSA-N 2 0 327.472 2.146 10 30 EEEERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852863863 1292218816 /nfs/dbraw/zinc/21/88/16/1292218816.db2.gz SNLXQKYARCXTNU-MJGOQNOKSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)CC1 ZINC000857929293 1293956694 /nfs/dbraw/zinc/95/66/94/1293956694.db2.gz DFRYGXFAFXRPGO-IBGZPJMESA-N 2 0 339.483 2.241 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCC3CCC3)C[C@@H]2C)CC1 ZINC001278425085 1310208065 /nfs/dbraw/zinc/20/80/65/1310208065.db2.gz ZGZOUHSGFCYAMJ-PXNSSMCTSA-N 2 0 345.531 2.491 10 30 EEEERP C#CC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001278636904 1317499413 /nfs/dbraw/zinc/49/94/13/1317499413.db2.gz NPTSIXBRCFPBKI-SFHVURJKSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001279137302 1323839377 /nfs/dbraw/zinc/83/93/77/1323839377.db2.gz DUOLDIQGEQQCLS-MSOLQXFVSA-N 2 0 333.520 2.206 10 30 EEEERP C[NH+](C)CCCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2C#N)C1 ZINC001280172119 1324102416 /nfs/dbraw/zinc/10/24/16/1324102416.db2.gz CCFWQCSWWOPQAX-QGZVFWFLSA-N 2 0 342.487 2.228 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)CCC=C)C2)CC1 ZINC001282740974 1325777089 /nfs/dbraw/zinc/77/70/89/1325777089.db2.gz PTCZSLVQBROKFM-IRXDYDNUSA-N 2 0 331.504 2.123 10 30 EEEERP CC[C@H](C(=O)NCC1=CC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001284930747 1326781896 /nfs/dbraw/zinc/78/18/96/1326781896.db2.gz WQQPCQXWTVSEDU-LJQANCHMSA-N 2 0 340.471 2.147 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001492177435 1331056789 /nfs/dbraw/zinc/05/67/89/1331056789.db2.gz GRCZKJTXDMTOOH-OALUTQOASA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001317007814 1332042421 /nfs/dbraw/zinc/04/24/21/1332042421.db2.gz RMFNVCZCURATIH-ROUUACIJSA-N 2 0 331.504 2.101 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001317108600 1332083234 /nfs/dbraw/zinc/08/32/34/1332083234.db2.gz CBZLLUGBAUCOAK-ZCNNSNEGSA-N 2 0 339.483 2.148 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001317369200 1332198782 /nfs/dbraw/zinc/19/87/82/1332198782.db2.gz WOXLRZLXSWIYTK-VQTJNVASSA-N 2 0 339.483 2.085 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001317773993 1332404667 /nfs/dbraw/zinc/40/46/67/1332404667.db2.gz VHVAANDDFUMUDP-IBGZPJMESA-N 2 0 331.504 2.055 10 30 EEEERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC001318569649 1332562161 /nfs/dbraw/zinc/56/21/61/1332562161.db2.gz IKDAENSSHYQQKT-RTBURBONSA-N 2 0 329.488 2.109 10 30 EEEERP C#CCC[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001318996762 1332634789 /nfs/dbraw/zinc/63/47/89/1332634789.db2.gz UHJQEJOECRDJBE-UHFFFAOYSA-N 2 0 325.456 2.044 10 30 EEEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](CC2CC2)CC1 ZINC001324397530 1333674755 /nfs/dbraw/zinc/67/47/55/1333674755.db2.gz PSNCUTRBEZRWEH-RBUKOAKNSA-N 2 0 331.504 2.053 10 30 EEEERP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001324645194 1333729878 /nfs/dbraw/zinc/72/98/78/1333729878.db2.gz BPKZVWFRSDLISX-QZTJIDSGSA-N 2 0 325.472 2.356 10 30 EEEERP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001330340345 1334826182 /nfs/dbraw/zinc/82/61/82/1334826182.db2.gz PMTXXSRGRZRKLO-OAFZBRQQSA-N 2 0 337.483 2.069 10 30 EEEERP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001351544131 1337824339 /nfs/dbraw/zinc/82/43/39/1337824339.db2.gz MLWDIXIBWVMQMU-DLBZAZTESA-N 2 0 346.523 2.050 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001436364071 1342053834 /nfs/dbraw/zinc/05/38/34/1342053834.db2.gz AACFYLHYIUPBEQ-WOVMCDHWSA-N 2 0 346.450 2.022 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CCCCC)C2)CC1 ZINC001567202247 1342711391 /nfs/dbraw/zinc/71/13/91/1342711391.db2.gz FDCOYROUKUWQTP-IBGZPJMESA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001567746869 1342831960 /nfs/dbraw/zinc/83/19/60/1342831960.db2.gz OVHKVTVXABYNNO-LJQANCHMSA-N 2 0 345.531 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC/C=C/CC)CC1 ZINC001656109126 1354202585 /nfs/dbraw/zinc/20/25/85/1354202585.db2.gz FRGXEPQRCZVMLX-GHOSXJJBSA-N 2 0 331.504 2.221 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1ccnc1C(C)C ZINC001660468650 1354469513 /nfs/dbraw/zinc/46/95/13/1354469513.db2.gz ZCWYOBCTJYARLB-DLBZAZTESA-N 2 0 330.476 2.389 10 30 EEEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1ccnc1C(C)C ZINC001660468652 1354469546 /nfs/dbraw/zinc/46/95/46/1354469546.db2.gz ZCWYOBCTJYARLB-IRXDYDNUSA-N 2 0 330.476 2.389 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001661972060 1354730491 /nfs/dbraw/zinc/73/04/91/1354730491.db2.gz NGVYTSPTIHBVJB-RBUKOAKNSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)N(C)C(=O)CCC[NH+](C)C ZINC001666976787 1355626179 /nfs/dbraw/zinc/62/61/79/1355626179.db2.gz LGIMOQRNHZMGBR-MRXNPFEDSA-N 2 0 349.906 2.470 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001667750555 1355805623 /nfs/dbraw/zinc/80/56/23/1355805623.db2.gz CWRBEELJLBWVGO-VQTJNVASSA-N 2 0 341.499 2.059 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC#Cc1ccccc1 ZINC001672530953 1356546910 /nfs/dbraw/zinc/54/69/10/1356546910.db2.gz OPFLSYJJADWMOB-UXHICEINSA-N 2 0 339.483 2.055 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001673407531 1356688683 /nfs/dbraw/zinc/68/86/83/1356688683.db2.gz SMARRHJDLGFJCG-FQEVSTJZSA-N 2 0 341.499 2.349 10 30 EEEERP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)O2 ZINC001687937695 1358684625 /nfs/dbraw/zinc/68/46/25/1358684625.db2.gz GBVSYRLSGAARAA-MSOLQXFVSA-N 2 0 349.519 2.175 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC/C=C/CC)CC1 ZINC001691839533 1404950710 /nfs/dbraw/zinc/95/07/10/1404950710.db2.gz OMHKTSDGFVHHCU-VGIQHARFSA-N 2 0 343.515 2.363 10 30 EEEERP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001698933404 1405171669 /nfs/dbraw/zinc/17/16/69/1405171669.db2.gz SKJYDVZNCQTLEC-QUCCMNQESA-N 2 0 341.499 2.011 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001699759490 1405469311 /nfs/dbraw/zinc/46/93/11/1405469311.db2.gz WZFGNAMJWQLBHH-LJQANCHMSA-N 2 0 329.488 2.318 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC000939813322 777431007 /nfs/dbraw/zinc/43/10/07/777431007.db2.gz ZICOVFHQFOTWAY-XLIONFOSSA-N 2 0 345.531 2.348 10 30 EEEERP C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000847032273 790849287 /nfs/dbraw/zinc/84/92/87/790849287.db2.gz SLSNMVWZHDOIPB-GGPKGHCWSA-N 2 0 339.483 2.111 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C#N)cc1 ZINC001445875730 1091803063 /nfs/dbraw/zinc/80/30/63/1091803063.db2.gz FPSHQGOJFKPVMH-QFBILLFUSA-N 2 0 342.487 2.369 10 30 EEEERP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001439228008 1091872509 /nfs/dbraw/zinc/87/25/09/1091872509.db2.gz VBVBDUXFKXBNCW-UONOGXRCSA-N 2 0 346.313 2.110 10 30 EEEERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001446018368 1092002833 /nfs/dbraw/zinc/00/28/33/1092002833.db2.gz UOAXREIIAIJOAK-YOEHRIQHSA-N 2 0 348.516 2.288 10 30 EEEERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001446018360 1092003147 /nfs/dbraw/zinc/00/31/47/1092003147.db2.gz UOAXREIIAIJOAK-WMLDXEAASA-N 2 0 348.516 2.288 10 30 EEEERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC001441925021 1096109353 /nfs/dbraw/zinc/10/93/53/1096109353.db2.gz AWTQEVQSSIKOKC-INIZCTEOSA-N 2 0 348.516 2.288 10 30 EEEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001480078653 1099623711 /nfs/dbraw/zinc/62/37/11/1099623711.db2.gz VRFNQOFIGCBZLL-OAHLLOKOSA-N 2 0 333.501 2.227 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001480173600 1099753353 /nfs/dbraw/zinc/75/33/53/1099753353.db2.gz KTUJOLVGEMBPHF-IYARVYRRSA-N 2 0 347.890 2.269 10 30 EEEERP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001497200224 1102114153 /nfs/dbraw/zinc/11/41/53/1102114153.db2.gz ZCLKIGLEUFANEN-UONOGXRCSA-N 2 0 346.313 2.254 10 30 EEEERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]Cc3ccc(C#N)s3)C2)CCC1 ZINC001447796207 1103355086 /nfs/dbraw/zinc/35/50/86/1103355086.db2.gz GBQFUPMVXMHBIJ-UHFFFAOYSA-N 2 0 346.500 2.088 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001494136725 1103586001 /nfs/dbraw/zinc/58/60/01/1103586001.db2.gz GPNPGNSWWNYNPY-OAHLLOKOSA-N 2 0 333.501 2.227 10 30 EEEERP C#CC[NH2+][C@H](CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001506488520 1114645066 /nfs/dbraw/zinc/64/50/66/1114645066.db2.gz YVBDFLLVZHSYAZ-LJQANCHMSA-N 2 0 333.520 2.204 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001506897920 1114958532 /nfs/dbraw/zinc/95/85/32/1114958532.db2.gz CSFUMWGSUZFLQC-JYJNAYRXSA-N 2 0 327.900 2.486 10 30 EEEERP C[C@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506934699 1114985678 /nfs/dbraw/zinc/98/56/78/1114985678.db2.gz XTPPMQFNRYPUKO-RDTXWAMCSA-N 2 0 346.450 2.166 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+]2CCC3)c(F)c1 ZINC001508235823 1115456595 /nfs/dbraw/zinc/45/65/95/1115456595.db2.gz MYPSFQSYAUHESQ-UHFFFAOYSA-N 2 0 343.446 2.183 10 30 EEEERP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001567941112 1124195625 /nfs/dbraw/zinc/19/56/25/1124195625.db2.gz SQXLKEKVYWVUHU-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568393376 1124463815 /nfs/dbraw/zinc/46/38/15/1124463815.db2.gz KRIMVNWVLVYSBU-VQIMIIECSA-N 2 0 337.483 2.193 10 30 EEEERP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001568437624 1124506215 /nfs/dbraw/zinc/50/62/15/1124506215.db2.gz BTZANNZUYLRXAE-RTBURBONSA-N 2 0 331.504 2.197 10 30 EEEERP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@H]21 ZINC001568513427 1124573511 /nfs/dbraw/zinc/57/35/11/1124573511.db2.gz LFLNOEMFPRBWGL-RBUKOAKNSA-N 2 0 345.531 2.445 10 30 EEEERP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001568516353 1124581521 /nfs/dbraw/zinc/58/15/21/1124581521.db2.gz WHOXTYWYMMHZOI-MOPGFXCFSA-N 2 0 331.504 2.199 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001568539733 1124600512 /nfs/dbraw/zinc/60/05/12/1124600512.db2.gz FMRPRCKUAFOWDG-PMACEKPBSA-N 2 0 341.499 2.254 10 30 EEEERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000530230945 267278630 /nfs/dbraw/zinc/27/86/30/267278630.db2.gz DYWQKLUKAPJFFA-VMWRSERWSA-N 2 0 331.460 2.008 10 30 EEEERP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000155718285 462933355 /nfs/dbraw/zinc/93/33/55/462933355.db2.gz SDIZYLGTMWHIDD-GOSISDBHSA-N 2 0 336.524 2.447 10 30 EEEERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437212 468586370 /nfs/dbraw/zinc/58/63/70/468586370.db2.gz JFRXRYCHTFTACX-NJAFHUGGSA-N 2 0 328.460 2.349 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000594446125 468591448 /nfs/dbraw/zinc/59/14/48/468591448.db2.gz PNSXKGDOTXTEHC-LSDHHAIUSA-N 2 0 334.489 2.412 10 30 EEEERP CCc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+](C)C)cc1 ZINC000594446450 468592629 /nfs/dbraw/zinc/59/26/29/468592629.db2.gz TVTMWTQTPAHWGX-ROUUACIJSA-N 2 0 330.476 2.379 10 30 EEEERP CN1CC[NH+](CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594925881 468723593 /nfs/dbraw/zinc/72/35/93/468723593.db2.gz PKFLJVKCJLNYEM-UHFFFAOYSA-N 2 0 326.488 2.359 10 30 EEEERP C[NH+](C)CCCC1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599351930 469222667 /nfs/dbraw/zinc/22/26/67/469222667.db2.gz LAGFNKOJZYATOZ-GOSISDBHSA-N 2 0 337.508 2.112 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C(C)C ZINC000626936927 469761695 /nfs/dbraw/zinc/76/16/95/469761695.db2.gz NYOMGBWXXHACHW-RLLQIKCJSA-N 2 0 348.535 2.326 10 30 EEEERP C=CC[C@@]1(C(=O)NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)CCC[NH2+]1 ZINC000662783786 472249730 /nfs/dbraw/zinc/24/97/30/472249730.db2.gz RLPGGKPPEOOCDG-KPFFTGBYSA-N 2 0 345.462 2.333 10 30 EEEERP C=CC[C@@]1(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CCC[NH2+]1 ZINC000662799938 472257025 /nfs/dbraw/zinc/25/70/25/472257025.db2.gz AXHJGHYWJMSOGW-UZLBHIALSA-N 2 0 342.487 2.422 10 30 EEEERP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CCC[C@@]2(CCCOC2)C1 ZINC000262806439 688519328 /nfs/dbraw/zinc/51/93/28/688519328.db2.gz SSKBKVKIACXLSF-LJQANCHMSA-N 2 0 336.524 2.329 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001485669910 1191889704 /nfs/dbraw/zinc/88/97/04/1191889704.db2.gz CDVJODUZIZNFBF-QGZVFWFLSA-N 2 0 349.519 2.034 10 30 EEEERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001266993821 1178052017 /nfs/dbraw/zinc/05/20/17/1178052017.db2.gz GCKQZBLZSOEFDR-HNNXBMFYSA-N 2 0 335.879 2.126 10 30 EEEERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001267372343 1178877310 /nfs/dbraw/zinc/87/73/10/1178877310.db2.gz MQAJCFWUBKTKFO-GOSISDBHSA-N 2 0 346.450 2.118 10 30 EEEERP CC[C@@H](C(=O)N(C)CC[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001267456857 1179039587 /nfs/dbraw/zinc/03/95/87/1179039587.db2.gz LMSBBFKQHCFCLL-KRWDZBQOSA-N 2 0 335.879 2.080 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001267496210 1179177462 /nfs/dbraw/zinc/17/74/62/1179177462.db2.gz OYPIAFUGVDPXEK-IBGZPJMESA-N 2 0 333.520 2.301 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1ccnc1C(C)C ZINC001268769994 1183688197 /nfs/dbraw/zinc/68/81/97/1183688197.db2.gz FBUKJJIZKLCLJH-SJORKVTESA-N 2 0 330.476 2.294 10 30 EEEERP CC[C@@H](CNC(=O)C[C@@H](C)n1ccnc1)[NH2+]CC#Cc1ccccc1 ZINC001269477168 1184300338 /nfs/dbraw/zinc/30/03/38/1184300338.db2.gz KVAYYNHJTKDTIC-MJGOQNOKSA-N 2 0 338.455 2.370 10 30 EEEERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001269498108 1184320940 /nfs/dbraw/zinc/32/09/40/1184320940.db2.gz NYGDJZQPTIMZMJ-MOPGFXCFSA-N 2 0 347.478 2.248 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269800166 1184628793 /nfs/dbraw/zinc/62/87/93/1184628793.db2.gz YZPJPZMTUCAOBH-MOPGFXCFSA-N 2 0 333.520 2.348 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001270088997 1184837295 /nfs/dbraw/zinc/83/72/95/1184837295.db2.gz VZZJVRPSKPFMSO-UHFFFAOYSA-N 2 0 327.472 2.292 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC(CC)CC)CC1 ZINC001270309021 1185004925 /nfs/dbraw/zinc/00/49/25/1185004925.db2.gz SFPFIXDJSDIEED-LJQANCHMSA-N 2 0 333.520 2.348 10 30 EEEERP C#CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1CC ZINC001271446677 1186234510 /nfs/dbraw/zinc/23/45/10/1186234510.db2.gz OBLAIVODZVLDGM-MOPGFXCFSA-N 2 0 329.488 2.215 10 30 EEEERP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001271753471 1186462445 /nfs/dbraw/zinc/46/24/45/1186462445.db2.gz YCIHXYZECMROPM-PXNSSMCTSA-N 2 0 345.531 2.348 10 30 EEEERP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001671045355 1193552997 /nfs/dbraw/zinc/55/29/97/1193552997.db2.gz TUZJMQPIHOVYLW-FQEVSTJZSA-N 2 0 331.504 2.200 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001483096195 1188470501 /nfs/dbraw/zinc/47/05/01/1188470501.db2.gz AGWMTGVHGFMYJV-DVBCCOPCSA-N 2 0 339.483 2.355 10 30 EEEERP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001671054724 1193604588 /nfs/dbraw/zinc/60/45/88/1193604588.db2.gz CWAKKFISCUJNGY-UHFFFAOYSA-N 2 0 333.520 2.302 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001483469815 1190491939 /nfs/dbraw/zinc/49/19/39/1190491939.db2.gz ZOIZIGDMEYXFGR-QGZVFWFLSA-N 2 0 348.516 2.432 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001272302909 1190752168 /nfs/dbraw/zinc/75/21/68/1190752168.db2.gz WMQCGFXIVVNWRU-UXHICEINSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001483804698 1191051258 /nfs/dbraw/zinc/05/12/58/1191051258.db2.gz RSEHVKAIMRMQLP-FBVQUNGASA-N 2 0 337.483 2.191 10 30 EEEERP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCCn3ccnc3C)C2)C1 ZINC001483832856 1191069894 /nfs/dbraw/zinc/06/98/94/1191069894.db2.gz GHTQVMUBVKMRSB-FQEVSTJZSA-N 2 0 342.487 2.310 10 30 EEEERP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001483989071 1191144327 /nfs/dbraw/zinc/14/43/27/1191144327.db2.gz VVWMORXUUNKUPF-XBMUEBEBSA-N 2 0 345.531 2.301 10 30 EEEERP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001483989011 1191144407 /nfs/dbraw/zinc/14/44/07/1191144407.db2.gz UBCKXLQVRWJMCI-ROUUACIJSA-N 2 0 333.520 2.301 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001484397233 1191330558 /nfs/dbraw/zinc/33/05/58/1191330558.db2.gz CHJZYGZOKGTTQS-VJANTYMQSA-N 2 0 333.520 2.395 10 30 EEEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001484558383 1191414613 /nfs/dbraw/zinc/41/46/13/1191414613.db2.gz FIPFLDPNJCJGPU-LPHOPBHVSA-N 2 0 327.472 2.461 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273019248 1194326383 /nfs/dbraw/zinc/32/63/83/1194326383.db2.gz TYHBXOBYEMDAHR-HUUCEWRRSA-N 2 0 346.450 2.024 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001410380797 1197776856 /nfs/dbraw/zinc/77/68/56/1197776856.db2.gz MGPOAXPMOOZRPA-ZIAGYGMSSA-N 2 0 346.313 2.206 10 30 EEEERP C[NH+](C)C1(C)CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000872228511 1198099634 /nfs/dbraw/zinc/09/96/34/1198099634.db2.gz IUXVTGMIRHJWIL-UHFFFAOYSA-N 2 0 349.500 2.184 10 30 EEEERP C#CCC[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001274886012 1205197305 /nfs/dbraw/zinc/19/73/05/1205197305.db2.gz XMXWYXCRJBIISB-UHFFFAOYSA-N 2 0 333.520 2.446 10 30 EEEERP C#CC[NH2+][C@H](CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001276147639 1205797879 /nfs/dbraw/zinc/79/78/79/1205797879.db2.gz RXYUMSKFVOKHFM-LJQANCHMSA-N 2 0 329.488 2.458 10 30 EEEERP CC1(C)C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]([NH3+])C1 ZINC000925608756 1206135150 /nfs/dbraw/zinc/13/51/50/1206135150.db2.gz JBMFZYOCSIDYDR-WBVHZDCISA-N 2 0 327.476 2.418 10 30 EEEERP C#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000931073862 1206604659 /nfs/dbraw/zinc/60/46/59/1206604659.db2.gz ALNYKIYFPQTBRE-LJQANCHMSA-N 2 0 343.471 2.039 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001273607333 1281076291 /nfs/dbraw/zinc/07/62/91/1281076291.db2.gz LWIQGQYXEMSHMD-RTBURBONSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001489001127 1290324774 /nfs/dbraw/zinc/32/47/74/1290324774.db2.gz OTNJDOVHNKXPMH-RBUKOAKNSA-N 2 0 333.520 2.493 10 30 EEEERP C=C(C)CC[NH2+][C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001490685627 1291617271 /nfs/dbraw/zinc/61/72/71/1291617271.db2.gz ATMCSWZNKRHRPT-GOSISDBHSA-N 2 0 339.443 2.332 10 30 EEEERP C=CCCCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001276813588 1298411421 /nfs/dbraw/zinc/41/14/21/1298411421.db2.gz PJIBJKMVCLTTSN-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277149124 1301517432 /nfs/dbraw/zinc/51/74/32/1301517432.db2.gz ZMUUDSKLWMJOBL-CRAIPNDOSA-N 2 0 328.460 2.027 10 30 EEEERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1)C1CCC1 ZINC001277866686 1304975204 /nfs/dbraw/zinc/97/52/04/1304975204.db2.gz XMPIGCDLTIGLKK-HXUWFJFHSA-N 2 0 339.483 2.103 10 30 EEEERP C#CCN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC[NH+](CC)CC1 ZINC001278185137 1306212392 /nfs/dbraw/zinc/21/23/92/1306212392.db2.gz YRAFSXXPKOTQOE-LJQANCHMSA-N 2 0 337.483 2.145 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001278516177 1317081004 /nfs/dbraw/zinc/08/10/04/1317081004.db2.gz OWXVSTVIPFWKFR-MSOLQXFVSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCCCC)CC[C@@H]3C2)CC1 ZINC001264658252 1322768428 /nfs/dbraw/zinc/76/84/28/1322768428.db2.gz GAMPGCDPYKWGCK-UXHICEINSA-N 2 0 345.531 2.302 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)C2)CC1 ZINC001266079599 1323636316 /nfs/dbraw/zinc/63/63/16/1323636316.db2.gz RZCZPHMFZWTZKI-MWXKITEQSA-N 2 0 337.895 2.101 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)c(F)c1 ZINC001279716277 1323984360 /nfs/dbraw/zinc/98/43/60/1323984360.db2.gz RAOIHBSVPLHENJ-UHFFFAOYSA-N 2 0 345.462 2.429 10 30 EEEERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282191165 1325646649 /nfs/dbraw/zinc/64/66/49/1325646649.db2.gz GNUFXLIHRKYLLQ-QZTJIDSGSA-N 2 0 343.515 2.499 10 30 EEEERP C=CCCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001283002003 1325876230 /nfs/dbraw/zinc/87/62/30/1325876230.db2.gz AHZVOMJBWNOROJ-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001284229373 1326467489 /nfs/dbraw/zinc/46/74/89/1326467489.db2.gz YIXADKHJWUCNNK-UXHICEINSA-N 2 0 341.499 2.254 10 30 EEEERP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001284711821 1326678200 /nfs/dbraw/zinc/67/82/00/1326678200.db2.gz CDEIWFLWPKJWAF-RDJZCZTQSA-N 2 0 327.488 2.459 10 30 EEEERP C#CC[NH+]1CCC(C2(NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)CC2)CC1 ZINC001284846553 1326742047 /nfs/dbraw/zinc/74/20/47/1326742047.db2.gz QGEBQBZPGHMBAK-IBGZPJMESA-N 2 0 349.494 2.193 10 30 EEEERP CCC[N@H+](C)CC(=O)NCCC[NH+](C)CC#Cc1ccccc1Cl ZINC001316862256 1331692768 /nfs/dbraw/zinc/69/27/68/1331692768.db2.gz LQMZUIRSCUQYGD-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[N@H+](C)CCCC=C)C2)CC1 ZINC001317042556 1332056793 /nfs/dbraw/zinc/05/67/93/1332056793.db2.gz FXFDRXYSCIKPAA-LJQANCHMSA-N 2 0 345.531 2.468 10 30 EEEERP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317139552 1332096018 /nfs/dbraw/zinc/09/60/18/1332096018.db2.gz JXVOSNZSPUCFSD-APWZRJJASA-N 2 0 337.483 2.050 10 30 EEEERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001317262354 1332157155 /nfs/dbraw/zinc/15/71/55/1332157155.db2.gz CEIHIKJKZMNIBD-PKOBYXMFSA-N 2 0 329.488 2.253 10 30 EEEERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001318603139 1332566358 /nfs/dbraw/zinc/56/63/58/1332566358.db2.gz OGUVTBZURNEXEU-FUHWJXTLSA-N 2 0 347.890 2.128 10 30 EEEERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001320414966 1332878680 /nfs/dbraw/zinc/87/86/80/1332878680.db2.gz NMSQTJYHQFQLGW-APWZRJJASA-N 2 0 342.487 2.415 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001320645159 1332928264 /nfs/dbraw/zinc/92/82/64/1332928264.db2.gz PSXBGMWJWICFCG-LJQANCHMSA-N 2 0 341.499 2.399 10 30 EEEERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC001323164655 1333401281 /nfs/dbraw/zinc/40/12/81/1333401281.db2.gz XHIAXKXUYLDUQO-UXHICEINSA-N 2 0 341.499 2.207 10 30 EEEERP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001324442357 1333685265 /nfs/dbraw/zinc/68/52/65/1333685265.db2.gz ZAWFWVKFPJRLDY-INIZCTEOSA-N 2 0 325.472 2.001 10 30 EEEERP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001329935916 1334743751 /nfs/dbraw/zinc/74/37/51/1334743751.db2.gz IDPFXEJVVDGVSV-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001330896716 1334922917 /nfs/dbraw/zinc/92/29/17/1334922917.db2.gz YQBBBNHXSPTEHN-APWZRJJASA-N 2 0 342.487 2.417 10 30 EEEERP C#CCC[NH2+][C@H](CCNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001331202385 1334979162 /nfs/dbraw/zinc/97/91/62/1334979162.db2.gz HBIVNUSWNBQVHU-GOSISDBHSA-N 2 0 326.444 2.400 10 30 EEEERP C=CC[NH2+][C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC001332221879 1335773032 /nfs/dbraw/zinc/77/30/32/1335773032.db2.gz PIHPVUNRYYQEEO-OALUTQOASA-N 2 0 329.488 2.364 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C[C@@H](F)CC)C(C)(C)C)CC1 ZINC001332898602 1335926949 /nfs/dbraw/zinc/92/69/49/1335926949.db2.gz KJAHHULMQGRSRO-IRXDYDNUSA-N 2 0 339.499 2.200 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CC/C=C/CC)CC2)CC1 ZINC001333456371 1336050683 /nfs/dbraw/zinc/05/06/83/1336050683.db2.gz CFMJXYVVOVTING-AATRIKPKSA-N 2 0 343.515 2.436 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001671968341 1356445819 /nfs/dbraw/zinc/44/58/19/1356445819.db2.gz KJGZAGIPCJXITJ-HUUCEWRRSA-N 2 0 331.451 2.366 10 30 EEEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001566740209 1342619560 /nfs/dbraw/zinc/61/95/60/1342619560.db2.gz SENMZSDOOIYPAW-MJGOQNOKSA-N 2 0 333.520 2.465 10 30 EEEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001569451884 1342872178 /nfs/dbraw/zinc/87/21/78/1342872178.db2.gz LQUDYHIOSPPLLG-UHFFFAOYSA-N 2 0 345.531 2.445 10 30 EEEERP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001569621791 1342910788 /nfs/dbraw/zinc/91/07/88/1342910788.db2.gz ITMBNCDMXMHRQU-AZUAARDMSA-N 2 0 333.520 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCCC)C2)CC1 ZINC001676974655 1357253311 /nfs/dbraw/zinc/25/33/11/1357253311.db2.gz LLBDUBQEWCTUEI-HKUYNNGSSA-N 2 0 333.520 2.396 10 30 EEEERP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](F)C[NH+](CC)CC)C2)CC1 ZINC001656394528 1354227309 /nfs/dbraw/zinc/22/73/09/1354227309.db2.gz VXAINWAWXLFSSB-DLBZAZTESA-N 2 0 337.483 2.003 10 30 EEEERP C#CCC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001657101804 1354325497 /nfs/dbraw/zinc/32/54/97/1354325497.db2.gz HVFZKJXNWWWHBU-QZTJIDSGSA-N 2 0 333.520 2.491 10 30 EEEERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]Cc2ccccc2C#N)C1 ZINC001664134337 1355098624 /nfs/dbraw/zinc/09/86/24/1355098624.db2.gz BKXFVBSZTDXCPQ-LJQANCHMSA-N 2 0 342.487 2.228 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001666218886 1355486748 /nfs/dbraw/zinc/48/67/48/1355486748.db2.gz GFNHWQRQLIJGHF-RTBURBONSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001669931013 1356242570 /nfs/dbraw/zinc/24/25/70/1356242570.db2.gz VTVNWFCQLFMTPI-MRXNPFEDSA-N 2 0 345.462 2.107 10 30 EEEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001671862728 1356426558 /nfs/dbraw/zinc/42/65/58/1356426558.db2.gz GYFUTEMQHDJOMY-QZTJIDSGSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001671908123 1356436748 /nfs/dbraw/zinc/43/67/48/1356436748.db2.gz PDLLMJOBHIAHQE-ICSRJNTNSA-N 2 0 333.520 2.493 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCC=C)C3)CC1 ZINC001672170476 1356472799 /nfs/dbraw/zinc/47/27/99/1356472799.db2.gz HDRCIYJPBWWIOS-IHPCNDPISA-N 2 0 343.515 2.267 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001672368935 1356510477 /nfs/dbraw/zinc/51/04/77/1356510477.db2.gz KHCULQDMOHNBRP-CADBVGFASA-N 2 0 333.520 2.252 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001672987154 1356626862 /nfs/dbraw/zinc/62/68/62/1356626862.db2.gz MBHGIRWZXSFGEQ-MKXGPGLRSA-N 2 0 331.504 2.291 10 30 EEEERP C#CCC[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2C1 ZINC001673764585 1356744204 /nfs/dbraw/zinc/74/42/04/1356744204.db2.gz AKVPLTHKWBZHQL-UHFFFAOYSA-N 2 0 325.456 2.126 10 30 EEEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001675343064 1356967765 /nfs/dbraw/zinc/96/77/65/1356967765.db2.gz JDFZGKIIGLRZMW-KBXCAEBGSA-N 2 0 325.472 2.212 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001675926986 1357071769 /nfs/dbraw/zinc/07/17/69/1357071769.db2.gz YQBBBNHXSPTEHN-QFBILLFUSA-N 2 0 342.487 2.417 10 30 EEEERP C#CCN(C(=O)NCCC[NH+](CCC)CCC)C1CC[NH+](C)CC1 ZINC000916554751 797651394 /nfs/dbraw/zinc/65/13/94/797651394.db2.gz VUAGVGMVVHTMAZ-UHFFFAOYSA-N 2 0 336.524 2.238 10 30 EEEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001438302327 1090781094 /nfs/dbraw/zinc/78/10/94/1090781094.db2.gz UAMRKNKTAXOPNK-DOMZBBRYSA-N 2 0 339.871 2.027 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001438753917 1091313881 /nfs/dbraw/zinc/31/38/81/1091313881.db2.gz MZIJUOOGFQJJSE-INIZCTEOSA-N 2 0 327.900 2.489 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001445909401 1091833293 /nfs/dbraw/zinc/83/32/93/1091833293.db2.gz YQIOFAFRCWMSMA-PBHICJAKSA-N 2 0 348.516 2.336 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001440400876 1093587545 /nfs/dbraw/zinc/58/75/45/1093587545.db2.gz KKJXYHZXTBOMCV-DOTOQJQBSA-N 2 0 346.450 2.024 10 30 EEEERP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001440841761 1094097135 /nfs/dbraw/zinc/09/71/35/1094097135.db2.gz PUZIXKDVVDFHIO-CVEARBPZSA-N 2 0 342.487 2.273 10 30 EEEERP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001443242483 1097712909 /nfs/dbraw/zinc/71/29/09/1097712909.db2.gz JCJLMROGDAKWJJ-HZPDHXFCSA-N 2 0 327.900 2.442 10 30 EEEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001480022031 1099503439 /nfs/dbraw/zinc/50/34/39/1099503439.db2.gz UTLJXGMGNNGDAL-MJGOQNOKSA-N 2 0 331.504 2.149 10 30 EEEERP C#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001480382945 1100176810 /nfs/dbraw/zinc/17/68/10/1100176810.db2.gz MEOYSFMNGFEGSF-QUCCMNQESA-N 2 0 341.499 2.011 10 30 EEEERP CC[N@H+](C)CCC(=O)NC[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001495779532 1101584345 /nfs/dbraw/zinc/58/43/45/1101584345.db2.gz QMZLYEQBWPHRAN-INIZCTEOSA-N 2 0 349.906 2.375 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497252683 1102195091 /nfs/dbraw/zinc/19/50/91/1102195091.db2.gz AXGWRMGRIRNWCE-ILXRZTDVSA-N 2 0 348.516 2.334 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001497830150 1103161728 /nfs/dbraw/zinc/16/17/28/1103161728.db2.gz WJTBEGHBZHVQAZ-OAHLLOKOSA-N 2 0 347.890 2.270 10 30 EEEERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001447872738 1103488377 /nfs/dbraw/zinc/48/83/77/1103488377.db2.gz SGAKZNBBOXFCFN-UONOGXRCSA-N 2 0 346.450 2.164 10 30 EEEERP C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001447937750 1103643633 /nfs/dbraw/zinc/64/36/33/1103643633.db2.gz WDZZJTJOGRHAOO-IRXDYDNUSA-N 2 0 342.487 2.417 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001480597513 1106734995 /nfs/dbraw/zinc/73/49/95/1106734995.db2.gz QJLBTVPDKQQAQF-HOTGVXAUSA-N 2 0 345.462 2.326 10 30 EEEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001480665640 1106846441 /nfs/dbraw/zinc/84/64/41/1106846441.db2.gz NHFDHAJCWTTXTN-SFHVURJKSA-N 2 0 329.488 2.419 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC/C=C/CC)C2)CC1 ZINC001480679489 1106868562 /nfs/dbraw/zinc/86/85/62/1106868562.db2.gz AALLCFPTNIOJJI-DUMMIQTOSA-N 2 0 331.504 2.126 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCCCC(F)(F)F)CC1 ZINC001498197602 1107064909 /nfs/dbraw/zinc/06/49/09/1107064909.db2.gz RKRHZRFJQKNLID-AWEZNQCLSA-N 2 0 347.425 2.159 10 30 EEEERP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001480789898 1107121371 /nfs/dbraw/zinc/12/13/71/1107121371.db2.gz IRKGCXYQKIYGMK-PKOBYXMFSA-N 2 0 329.488 2.109 10 30 EEEERP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001499929715 1112544879 /nfs/dbraw/zinc/54/48/79/1112544879.db2.gz KPTMHHJWPMCNDY-ROUUACIJSA-N 2 0 337.508 2.033 10 30 EEEERP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCCCC)CC1 ZINC001500048846 1112592906 /nfs/dbraw/zinc/59/29/06/1112592906.db2.gz WKVINDOUAGSSFX-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CC2CC2)CC1 ZINC001500054848 1112595218 /nfs/dbraw/zinc/59/52/18/1112595218.db2.gz WHFRDCQKHKHCFH-AZUAARDMSA-N 2 0 345.531 2.443 10 30 EEEERP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C2 ZINC001501173551 1113227982 /nfs/dbraw/zinc/22/79/82/1113227982.db2.gz HJAGCTDOACUEGA-REPLKXPHSA-N 2 0 331.504 2.245 10 30 EEEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001501181239 1113230967 /nfs/dbraw/zinc/23/09/67/1113230967.db2.gz FYOZLVBPJWTDGA-GUDVDZBRSA-N 2 0 333.520 2.396 10 30 EEEERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001505682107 1114128689 /nfs/dbraw/zinc/12/86/89/1114128689.db2.gz QOJBJATVYBMTMS-KBPBESRZSA-N 2 0 346.450 2.022 10 30 EEEERP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001507328928 1115195075 /nfs/dbraw/zinc/19/50/75/1115195075.db2.gz YJSVKKKBALNQLV-IEBWSBKVSA-N 2 0 329.488 2.316 10 30 EEEERP C#CC[NH2+][C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1ccccc1 ZINC001507389863 1115247272 /nfs/dbraw/zinc/24/72/72/1115247272.db2.gz PPORDAJPJZODNA-VQTJNVASSA-N 2 0 341.499 2.200 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001507396266 1115249899 /nfs/dbraw/zinc/24/98/99/1115249899.db2.gz BVPYHCMYVDBRCT-GOEBONIOSA-N 2 0 333.501 2.321 10 30 EEEERP CC#CC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001507444069 1115272541 /nfs/dbraw/zinc/27/25/41/1115272541.db2.gz VIUZLBWFPULBHD-SFHVURJKSA-N 2 0 333.520 2.491 10 30 EEEERP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(F)c1 ZINC001508235946 1115456801 /nfs/dbraw/zinc/45/68/01/1115456801.db2.gz ODVRIVPNYRXLEQ-SFHVURJKSA-N 2 0 331.435 2.039 10 30 EEEERP C=C(C[NH+](C)C)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC001543302666 1124127200 /nfs/dbraw/zinc/12/72/00/1124127200.db2.gz NFZRMUQZBWUODE-SFHVURJKSA-N 2 0 330.476 2.012 10 30 EEEERP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC#Cc1ccccc1 ZINC001567990203 1124219500 /nfs/dbraw/zinc/21/95/00/1124219500.db2.gz CCBXBKBIGDFVDL-FQEVSTJZSA-N 2 0 341.499 2.399 10 30 EEEERP CC[C@H](C(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)C(C)C)[NH+](C)C ZINC001568454607 1124520233 /nfs/dbraw/zinc/52/02/33/1124520233.db2.gz MTEUNFALEWUQFZ-RTBURBONSA-N 2 0 329.488 2.109 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)C[N@H+](C)C1CCC1 ZINC001568640853 1124654057 /nfs/dbraw/zinc/65/40/57/1124654057.db2.gz QPPMYLQKPFNQAR-AWEZNQCLSA-N 2 0 346.450 2.166 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001568858433 1124881191 /nfs/dbraw/zinc/88/11/91/1124881191.db2.gz NEEGIFCKXYXGNG-PXDRNWIDSA-N 2 0 339.483 2.175 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001568969056 1125006324 /nfs/dbraw/zinc/00/63/24/1125006324.db2.gz HJFHUWQIWVOSCU-YGHZUAQBSA-N 2 0 343.515 2.030 10 30 EEEERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000566109778 319245873 /nfs/dbraw/zinc/24/58/73/319245873.db2.gz UDNYLDGXJBYDIZ-GOSISDBHSA-N 2 0 331.460 2.010 10 30 EEEERP Cc1nccn1C[C@@H]1CCCN1CC(=O)Nc1sccc1C#N ZINC000178750656 463962814 /nfs/dbraw/zinc/96/28/14/463962814.db2.gz YTSLMUYRVDEECI-AWEZNQCLSA-N 2 0 329.429 2.228 10 30 EEEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCNC[C@](C)(F)C1)C(C)C ZINC000417059528 466767577 /nfs/dbraw/zinc/76/75/77/466767577.db2.gz IOUYSUBXVMPXBE-WMZOPIPTSA-N 2 0 340.487 2.028 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)C(C)C ZINC000376577959 466920090 /nfs/dbraw/zinc/92/00/90/466920090.db2.gz HBTIQVCMEZQVOC-GOSISDBHSA-N 2 0 334.508 2.175 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000594439154 468588133 /nfs/dbraw/zinc/58/81/33/468588133.db2.gz SUPOOBAHHYEGCI-RTBURBONSA-N 2 0 342.487 2.078 10 30 EEEERP CC(C)(CNC(=O)[C@H]([NH3+])CCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000594440636 468589393 /nfs/dbraw/zinc/58/93/93/468589393.db2.gz HGBKOJXRUYYJNO-GOSISDBHSA-N 2 0 342.487 2.351 10 30 EEEERP CC#CC[C@H](CO)[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000641767725 470473870 /nfs/dbraw/zinc/47/38/70/470473870.db2.gz PTHBLKDSJABQAI-LJQANCHMSA-N 2 0 329.488 2.083 10 30 EEEERP C=CC[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000638799703 471224688 /nfs/dbraw/zinc/22/46/88/471224688.db2.gz FSMOIRFUEXXNHV-AZUAARDMSA-N 2 0 327.472 2.323 10 30 EEEERP C=CC[C@]1(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCC[NH2+]1 ZINC000662759491 472239782 /nfs/dbraw/zinc/23/97/82/472239782.db2.gz YEGUJWIUIXXFHZ-HXUWFJFHSA-N 2 0 342.487 2.071 10 30 EEEERP C[NH+]=C(NCCc1cc(F)ccc1F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262384862 679436700 /nfs/dbraw/zinc/43/67/00/679436700.db2.gz LDOQNCTVOHOYIF-INIZCTEOSA-N 2 0 334.414 2.029 10 30 EEEERP C=CCc1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc(OC)c1O ZINC000904391543 694378899 /nfs/dbraw/zinc/37/88/99/694378899.db2.gz ILSNFWSJJOCQPU-KRWDZBQOSA-N 2 0 346.471 2.459 10 30 EEEERP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001485658884 1191879328 /nfs/dbraw/zinc/87/93/28/1191879328.db2.gz ZRLHHDZVNHTYRZ-OTWHNJEPSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCCCCF)CC1 ZINC001691112512 1177602256 /nfs/dbraw/zinc/60/22/56/1177602256.db2.gz HJAJIXXDNTVNFY-GOSISDBHSA-N 2 0 337.483 2.052 10 30 EEEERP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267618054 1179952019 /nfs/dbraw/zinc/95/20/19/1179952019.db2.gz ORDOPZRLKJEWTM-QZTJIDSGSA-N 2 0 337.508 2.033 10 30 EEEERP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001481491258 1181556571 /nfs/dbraw/zinc/55/65/71/1181556571.db2.gz MJBVUHBINDLSSW-IRXDYDNUSA-N 2 0 330.476 2.192 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481528756 1181654318 /nfs/dbraw/zinc/65/43/18/1181654318.db2.gz DFMUUSWZOFWHLP-QZTJIDSGSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001268084156 1181699319 /nfs/dbraw/zinc/69/93/19/1181699319.db2.gz BZPFQDZOAXMGRY-GOSISDBHSA-N 2 0 341.499 2.207 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001481882462 1182866728 /nfs/dbraw/zinc/86/67/28/1182866728.db2.gz RMHVPLUYAATRLT-GOSISDBHSA-N 2 0 333.520 2.252 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC[C@@H](C)F)CC1 ZINC001481999836 1183112600 /nfs/dbraw/zinc/11/26/00/1183112600.db2.gz XGQZYDAYCSLMDS-AEFFLSMTSA-N 2 0 337.483 2.050 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268631298 1183557583 /nfs/dbraw/zinc/55/75/83/1183557583.db2.gz ZYSZQEZVBQJVMZ-PLNGDYQASA-N 2 0 347.890 2.294 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](CC[NH2+]CC(=C)C)C2)CC1 ZINC001269799210 1184627745 /nfs/dbraw/zinc/62/77/45/1184627745.db2.gz SMCFFWYTRNAQCU-GOSISDBHSA-N 2 0 331.504 2.126 10 30 EEEERP CC#CC[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001482246910 1184671568 /nfs/dbraw/zinc/67/15/68/1184671568.db2.gz UERKBPFETDPBCV-UHFFFAOYSA-N 2 0 331.504 2.200 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001482370221 1185535960 /nfs/dbraw/zinc/53/59/60/1185535960.db2.gz TUANJMPCBPEDLB-QFBILLFUSA-N 2 0 342.487 2.369 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN(C)Cc1ccccc1 ZINC001272054399 1187291939 /nfs/dbraw/zinc/29/19/39/1187291939.db2.gz VJICAJCYEDCKNN-WOJBJXKFSA-N 2 0 339.483 2.207 10 30 EEEERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001482847395 1187765953 /nfs/dbraw/zinc/76/59/53/1187765953.db2.gz RQPUWNVLVDJSKH-CXAGYDPISA-N 2 0 334.439 2.022 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC001649097863 1193514108 /nfs/dbraw/zinc/51/41/08/1193514108.db2.gz HROFEIWOYZQQQB-CABCVRRESA-N 2 0 349.862 2.300 10 30 EEEERP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001272227181 1188432773 /nfs/dbraw/zinc/43/27/73/1188432773.db2.gz UFJGBGSYNYIYJG-RBUKOAKNSA-N 2 0 331.504 2.199 10 30 EEEERP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001272227182 1188432822 /nfs/dbraw/zinc/43/28/22/1188432822.db2.gz UFJGBGSYNYIYJG-RTBURBONSA-N 2 0 331.504 2.199 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1ccnc1C(C)C ZINC001483443385 1190482247 /nfs/dbraw/zinc/48/22/47/1190482247.db2.gz QADLBUYYBDTYIY-DLBZAZTESA-N 2 0 330.476 2.294 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCCC)[C@@H]2C)CC1 ZINC001486097770 1193680338 /nfs/dbraw/zinc/68/03/38/1193680338.db2.gz YBOGCXCHTQFHKM-PKOBYXMFSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001486124403 1193688687 /nfs/dbraw/zinc/68/86/87/1193688687.db2.gz PCTAUBVIFJOJHC-LPHOPBHVSA-N 2 0 327.472 2.007 10 30 EEEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001483806559 1191052146 /nfs/dbraw/zinc/05/21/46/1191052146.db2.gz DKWMQUZKOVVWOR-YQQQUEKLSA-N 2 0 331.504 2.387 10 30 EEEERP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](CCC(=C)C)CC1 ZINC001483987669 1191143658 /nfs/dbraw/zinc/14/36/58/1191143658.db2.gz ZEWPQGDMEGCBOW-GOSISDBHSA-N 2 0 331.504 2.221 10 30 EEEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001484688127 1191471482 /nfs/dbraw/zinc/47/14/82/1191471482.db2.gz GRFZPFUOOFKGTG-SJORKVTESA-N 2 0 337.508 2.033 10 30 EEEERP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001484715401 1191480127 /nfs/dbraw/zinc/48/01/27/1191480127.db2.gz OUEDKMOKIAEMEA-LSDHHAIUSA-N 2 0 333.879 2.390 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCCCF)CC1 ZINC001484716497 1191480508 /nfs/dbraw/zinc/48/05/08/1191480508.db2.gz KWIWDQVNQUPALD-ROUUACIJSA-N 2 0 337.483 2.195 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC001484987628 1191603547 /nfs/dbraw/zinc/60/35/47/1191603547.db2.gz DJXGHRPBRGOQQB-GJZGRUSLSA-N 2 0 348.516 2.429 10 30 EEEERP C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485483847 1191799891 /nfs/dbraw/zinc/79/98/91/1191799891.db2.gz COCMHPNVATYKGU-HZPDHXFCSA-N 2 0 327.900 2.442 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000876754159 1199757337 /nfs/dbraw/zinc/75/73/37/1199757337.db2.gz PVKLVTVOZJWSGN-OAHLLOKOSA-N 2 0 325.840 2.060 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000876848430 1199794125 /nfs/dbraw/zinc/79/41/25/1199794125.db2.gz QTHVUIPBLVHRKJ-HNNXBMFYSA-N 2 0 327.831 2.186 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877225122 1199883810 /nfs/dbraw/zinc/88/38/10/1199883810.db2.gz RZHMXMUWYJJIMU-INIZCTEOSA-N 2 0 335.879 2.236 10 30 EEEERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)cc1F ZINC000925860034 1206162497 /nfs/dbraw/zinc/16/24/97/1206162497.db2.gz YVIBYUWQOBRDHC-JSGCOSHPSA-N 2 0 331.391 2.033 10 30 EEEERP C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000934467526 1207968444 /nfs/dbraw/zinc/96/84/44/1207968444.db2.gz OFSLLLBMTYNSCF-QXAKKESOSA-N 2 0 327.472 2.416 10 30 EEEERP C=C(C)C[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001276921097 1300269683 /nfs/dbraw/zinc/26/96/83/1300269683.db2.gz HJUFVCRLQLIHIC-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCC3CCC3)C[C@H]2C)CC1 ZINC001278425086 1310207737 /nfs/dbraw/zinc/20/77/37/1310207737.db2.gz ZGZOUHSGFCYAMJ-XLIONFOSSA-N 2 0 345.531 2.491 10 30 EEEERP CN(CCC#N)c1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000843432516 1315914707 /nfs/dbraw/zinc/91/47/07/1315914707.db2.gz XWAOSSGIKAJQGB-UHFFFAOYSA-N 2 0 342.487 2.333 10 30 EEEERP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001278587427 1317283299 /nfs/dbraw/zinc/28/32/99/1317283299.db2.gz ZLEICXAQPMXIGD-PMACEKPBSA-N 2 0 341.499 2.254 10 30 EEEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001156672428 1318154085 /nfs/dbraw/zinc/15/40/85/1318154085.db2.gz NWQQNKZOIWAHDP-LJQANCHMSA-N 2 0 329.488 2.475 10 30 EEEERP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001264017713 1322586104 /nfs/dbraw/zinc/58/61/04/1322586104.db2.gz LBLSHOCYATZJLV-QRVBRYPASA-N 2 0 333.520 2.489 10 30 EEEERP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001264755122 1322810029 /nfs/dbraw/zinc/81/00/29/1322810029.db2.gz ISAKQCPUGLIXQC-MSOLQXFVSA-N 2 0 333.520 2.347 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]C[C@H](F)CC)CC2)CC1 ZINC001265744664 1323361548 /nfs/dbraw/zinc/36/15/48/1323361548.db2.gz QMGORGANZJHORG-WWDZGPRUSA-N 2 0 337.483 2.097 10 30 EEEERP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001266234889 1323818410 /nfs/dbraw/zinc/81/84/10/1323818410.db2.gz NKBOMWCDGJSICG-FQEVSTJZSA-N 2 0 341.499 2.398 10 30 EEEERP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H](F)C[NH+](CC)CC)CC2)CC1 ZINC001279360752 1323886009 /nfs/dbraw/zinc/88/60/09/1323886009.db2.gz XPRLFCDJLWCWFA-KRWDZBQOSA-N 2 0 337.483 2.050 10 30 EEEERP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001280865873 1324588219 /nfs/dbraw/zinc/58/82/19/1324588219.db2.gz ORIBXSJCNSLSHK-UXHICEINSA-N 2 0 341.499 2.135 10 30 EEEERP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001282680909 1325764266 /nfs/dbraw/zinc/76/42/66/1325764266.db2.gz DCUKTRPYXSYTNW-RTBURBONSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2CC(=C)C)CC1 ZINC001492178951 1331058134 /nfs/dbraw/zinc/05/81/34/1331058134.db2.gz SQIYORTVCZDLDZ-LJQANCHMSA-N 2 0 331.504 2.269 10 30 EEEERP CC#CC[N@H+](CC)CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001316902399 1331968125 /nfs/dbraw/zinc/96/81/25/1331968125.db2.gz ITUKVQBJPHOERP-UXHICEINSA-N 2 0 341.499 2.183 10 30 EEEERP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001316999956 1332038421 /nfs/dbraw/zinc/03/84/21/1332038421.db2.gz BYEDYLTYPRGYHW-IBGZPJMESA-N 2 0 341.499 2.318 10 30 EEEERP C#CCC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001317375911 1332203344 /nfs/dbraw/zinc/20/33/44/1332203344.db2.gz OOUKAMXUSCQENO-HXUWFJFHSA-N 2 0 341.499 2.333 10 30 EEEERP C[NH+](C)CCC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001317437098 1332241083 /nfs/dbraw/zinc/24/10/83/1332241083.db2.gz UATTXRRGIIYBQA-OAHLLOKOSA-N 2 0 348.516 2.432 10 30 EEEERP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC#Cc2ccccc2)C1)[NH+](C)C ZINC001317842332 1332428493 /nfs/dbraw/zinc/42/84/93/1332428493.db2.gz OYLOHYPEYMVQRG-WOJBJXKFSA-N 2 0 341.499 2.159 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317851802 1332431174 /nfs/dbraw/zinc/43/11/74/1332431174.db2.gz ASJALNOVPHNQJV-SFHVURJKSA-N 2 0 327.472 2.165 10 30 EEEERP C#CC[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001317876664 1332439350 /nfs/dbraw/zinc/43/93/50/1332439350.db2.gz LKDFYKUUCZHRGI-UHFFFAOYSA-N 2 0 333.520 2.445 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001319493212 1332711140 /nfs/dbraw/zinc/71/11/40/1332711140.db2.gz WAXKJEGPIPTNAO-OAHLLOKOSA-N 2 0 327.432 2.284 10 30 EEEERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001320612566 1332920731 /nfs/dbraw/zinc/92/07/31/1332920731.db2.gz BVJYFKRHQZBPCQ-CZUORRHYSA-N 2 0 336.505 2.190 10 30 EEEERP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001325052970 1333819049 /nfs/dbraw/zinc/81/90/49/1333819049.db2.gz DMVSOVMNFYNJEC-MRXNPFEDSA-N 2 0 343.462 2.368 10 30 EEEERP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001325617546 1333924918 /nfs/dbraw/zinc/92/49/18/1333924918.db2.gz MENZRPQIIWBQGS-BCDXTJNWSA-N 2 0 331.504 2.243 10 30 EEEERP C=CCOCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001325897964 1333987840 /nfs/dbraw/zinc/98/78/40/1333987840.db2.gz HKCIBVBAYHDHBE-OTWHNJEPSA-N 2 0 349.519 2.129 10 30 EEEERP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001325915067 1333992903 /nfs/dbraw/zinc/99/29/03/1333992903.db2.gz CFWUXWZRNLTEJC-RTBURBONSA-N 2 0 331.504 2.341 10 30 EEEERP C=C(C)C[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001326889074 1334177020 /nfs/dbraw/zinc/17/70/20/1334177020.db2.gz FYMRMGYUSNLWSA-SFHVURJKSA-N 2 0 325.472 2.404 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001330171248 1334793903 /nfs/dbraw/zinc/79/39/03/1334793903.db2.gz QYSANWSJQGBZMC-HXUWFJFHSA-N 2 0 349.519 2.132 10 30 EEEERP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001351862212 1337857926 /nfs/dbraw/zinc/85/79/26/1337857926.db2.gz UIUXWIWHSSVQFF-BRWVUGGUSA-N 2 0 346.523 2.192 10 30 EEEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001501424799 1342189829 /nfs/dbraw/zinc/18/98/29/1342189829.db2.gz JJQIALKWOOOMNH-FGTMMUONSA-N 2 0 331.504 2.360 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001566905155 1342649450 /nfs/dbraw/zinc/64/94/50/1342649450.db2.gz NQGCXTIFFQKWKT-LPHOPBHVSA-N 2 0 337.483 2.050 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CC=C(C)C)CC2)CC1 ZINC001676082159 1357102511 /nfs/dbraw/zinc/10/25/11/1357102511.db2.gz GBBNFNFTZZOEOC-UHFFFAOYSA-N 2 0 331.504 2.221 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)CC1 ZINC001606970365 1351387721 /nfs/dbraw/zinc/38/77/21/1351387721.db2.gz JYQQNGXYXCTSLN-OALUTQOASA-N 2 0 331.504 2.053 10 30 EEEERP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](F)C[NH+](CC)CC)C2)CC1 ZINC001656394534 1354227628 /nfs/dbraw/zinc/22/76/28/1354227628.db2.gz VXAINWAWXLFSSB-SJORKVTESA-N 2 0 337.483 2.003 10 30 EEEERP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001661977032 1354732077 /nfs/dbraw/zinc/73/20/77/1354732077.db2.gz IWMBVIYYTVGGBX-ROUUACIJSA-N 2 0 331.504 2.197 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccc(C)cc2C)CC1 ZINC001662426487 1354795652 /nfs/dbraw/zinc/79/56/52/1354795652.db2.gz YBMUSSGUGCBMJR-SFHVURJKSA-N 2 0 341.499 2.243 10 30 EEEERP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001662785185 1354846233 /nfs/dbraw/zinc/84/62/33/1354846233.db2.gz MLBINJPZHJXOOD-IAGOWNOFSA-N 2 0 337.508 2.080 10 30 EEEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001664442014 1355164691 /nfs/dbraw/zinc/16/46/91/1355164691.db2.gz IJEGQFNVYAPPTA-QGZVFWFLSA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC(C)C)CC1 ZINC001665433307 1355310424 /nfs/dbraw/zinc/31/04/24/1355310424.db2.gz YAQRAKRPTJWPRZ-OALUTQOASA-N 2 0 331.504 2.053 10 30 EEEERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001672326215 1356501803 /nfs/dbraw/zinc/50/18/03/1356501803.db2.gz BAMNWZLWCVDGLZ-AZUAARDMSA-N 2 0 341.499 2.064 10 30 EEEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001672388788 1356513515 /nfs/dbraw/zinc/51/35/15/1356513515.db2.gz PRIMKYLWXHUDJP-LJQANCHMSA-N 2 0 327.472 2.111 10 30 EEEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001674352728 1356823221 /nfs/dbraw/zinc/82/32/21/1356823221.db2.gz HWEFXCHIBCVPOG-QZTJIDSGSA-N 2 0 333.520 2.443 10 30 EEEERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001674720830 1356883074 /nfs/dbraw/zinc/88/30/74/1356883074.db2.gz DCABMVFRCDFYJX-HZPDHXFCSA-N 2 0 345.462 2.002 10 30 EEEERP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001698723260 1405028086 /nfs/dbraw/zinc/02/80/86/1405028086.db2.gz PIIQEAWKDODXDP-RTBURBONSA-N 2 0 331.504 2.245 10 30 EEEERP C#CC[NH2+]C1(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CCCC1 ZINC001698805231 1405078889 /nfs/dbraw/zinc/07/88/89/1405078889.db2.gz NSFDIEOHVFVYIA-UHFFFAOYSA-N 2 0 327.472 2.056 10 30 EEEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001699687631 1405440680 /nfs/dbraw/zinc/44/06/80/1405440680.db2.gz IFPNDNMFUGFARZ-PMACEKPBSA-N 2 0 343.515 2.340 10 30 EEEERP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800516 779305798 /nfs/dbraw/zinc/30/57/98/779305798.db2.gz BMBSZHZIWDBWOW-QZTJIDSGSA-N 2 0 331.504 2.243 10 30 EEEERP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923385759 789481397 /nfs/dbraw/zinc/48/13/97/789481397.db2.gz HPHXWLBTAJIDMQ-RBUKOAKNSA-N 2 0 343.471 2.010 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000922415495 801010224 /nfs/dbraw/zinc/01/02/24/801010224.db2.gz VDFSTTVOBYGDDM-LPHOPBHVSA-N 2 0 342.487 2.075 10 30 EEEERP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001436846773 1088485919 /nfs/dbraw/zinc/48/59/19/1088485919.db2.gz VSSFUTRQLDLHJX-OAHLLOKOSA-N 2 0 348.516 2.242 10 30 EEEERP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001437011686 1088790807 /nfs/dbraw/zinc/79/08/07/1088790807.db2.gz RGCSYXBTCGQQDK-RTBURBONSA-N 2 0 342.487 2.227 10 30 EEEERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001437163900 1089178953 /nfs/dbraw/zinc/17/89/53/1089178953.db2.gz KUGVPWHKTVBERW-PBHICJAKSA-N 2 0 346.450 2.166 10 30 EEEERP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001438766621 1091342819 /nfs/dbraw/zinc/34/28/19/1091342819.db2.gz HTGWELWUIGYIKQ-HUUCEWRRSA-N 2 0 325.884 2.051 10 30 EEEERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001438770842 1091354843 /nfs/dbraw/zinc/35/48/43/1091354843.db2.gz IYUWVWGGEIIZCT-VQIMIIECSA-N 2 0 342.487 2.227 10 30 EEEERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]Cc1cccc(C#N)c1 ZINC001444360901 1098925534 /nfs/dbraw/zinc/92/55/34/1098925534.db2.gz ZAEQGCMCOCRQDY-INIZCTEOSA-N 2 0 342.487 2.275 10 30 EEEERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001480222183 1099840148 /nfs/dbraw/zinc/84/01/48/1099840148.db2.gz FYUMZOIZSBAOIC-HSALFYBXSA-N 2 0 341.499 2.395 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1C#N ZINC001496415892 1101008596 /nfs/dbraw/zinc/00/85/96/1101008596.db2.gz RBLILMQPWUKLJN-IBGZPJMESA-N 2 0 342.487 2.371 10 30 EEEERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001496535839 1101135565 /nfs/dbraw/zinc/13/55/65/1101135565.db2.gz XAZCYWONJQEARA-MSOLQXFVSA-N 2 0 346.450 2.022 10 30 EEEERP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)CC[NH+]1CCCCC1 ZINC001497500534 1102587553 /nfs/dbraw/zinc/58/75/53/1102587553.db2.gz HVZJUSDZUSSNTG-UHFFFAOYSA-N 2 0 342.487 2.372 10 30 EEEERP C[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC#Cc1ccccc1 ZINC001480798664 1107137019 /nfs/dbraw/zinc/13/70/19/1107137019.db2.gz IVLZZSDXSVVPLB-IBGZPJMESA-N 2 0 341.499 2.254 10 30 EEEERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001493255315 1107782871 /nfs/dbraw/zinc/78/28/71/1107782871.db2.gz RCGNUJQQGMMIIX-HNNXBMFYSA-N 2 0 348.516 2.290 10 30 EEEERP CN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)CCC[NH+](C)C ZINC001493675394 1108491139 /nfs/dbraw/zinc/49/11/39/1108491139.db2.gz JFEXUDMAQCTPSY-UHFFFAOYSA-N 2 0 335.879 2.081 10 30 EEEERP C=CC[N@@H+](C)CCN(CC)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460034272 1110253861 /nfs/dbraw/zinc/25/38/61/1110253861.db2.gz ZLMHKAAJSXUZCE-FQEVSTJZSA-N 2 0 331.504 2.063 10 30 EEEERP C#CCN(C(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC[NH+](CCC2CC2)CC1 ZINC001500057552 1112596489 /nfs/dbraw/zinc/59/64/89/1112596489.db2.gz JLJGPGTVNLZNAS-NRFANRHFSA-N 2 0 343.515 2.199 10 30 EEEERP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001502966454 1113863545 /nfs/dbraw/zinc/86/35/45/1113863545.db2.gz DGUBLQZQHIMJDO-UONOGXRCSA-N 2 0 334.489 2.041 10 30 EEEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001505833246 1114221491 /nfs/dbraw/zinc/22/14/91/1114221491.db2.gz AHSNWDSZLWKEEM-IBGZPJMESA-N 2 0 339.499 2.296 10 30 EEEERP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]2C1 ZINC001506855118 1114919211 /nfs/dbraw/zinc/91/92/11/1114919211.db2.gz HIWVGVAYUVGQNR-BZSNNMDCSA-N 2 0 345.531 2.489 10 30 EEEERP CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001507152007 1115135924 /nfs/dbraw/zinc/13/59/24/1115135924.db2.gz LBWJFCDMWRWERL-GOSISDBHSA-N 2 0 329.488 2.207 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001507427838 1115263211 /nfs/dbraw/zinc/26/32/11/1115263211.db2.gz LSTYDAMPYNFUIS-LSDHHAIUSA-N 2 0 348.516 2.334 10 30 EEEERP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@@H]21 ZINC001568513426 1124574125 /nfs/dbraw/zinc/57/41/25/1124574125.db2.gz LFLNOEMFPRBWGL-OALUTQOASA-N 2 0 345.531 2.445 10 30 EEEERP CC[C@H](O)[C@@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872649 465272201 /nfs/dbraw/zinc/27/22/01/465272201.db2.gz GIVPJINMCYAWSV-MUGJNUQGSA-N 2 0 336.520 2.241 10 30 EEEERP CC[C@H](C)[NH+]=C(NCc1ccccc1)NC[C@H]1CC[N@H+](CCOC)C1 ZINC000072271835 463492117 /nfs/dbraw/zinc/49/21/17/463492117.db2.gz CHPYBNWEEVYJKO-PKOBYXMFSA-N 2 0 346.519 2.489 10 30 EEEERP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594444094 468590246 /nfs/dbraw/zinc/59/02/46/468590246.db2.gz XPJHWPXCNZVXSM-QXAKKESOSA-N 2 0 342.487 2.424 10 30 EEEERP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C(C)(C)C ZINC000600723369 468636233 /nfs/dbraw/zinc/63/62/33/468636233.db2.gz LIBFEHCGAJSYTK-HZPDHXFCSA-N 2 0 325.497 2.014 10 30 EEEERP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)CC[NH2+]CC1 ZINC000564989513 469264379 /nfs/dbraw/zinc/26/43/79/469264379.db2.gz PHXDTUQUHWNCLL-HNNXBMFYSA-N 2 0 329.444 2.164 10 30 EEEERP N#Cc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)ccn1 ZINC000611553437 469277675 /nfs/dbraw/zinc/27/76/75/469277675.db2.gz JHKGFTXMQPIPLJ-UHFFFAOYSA-N 2 0 328.460 2.278 10 30 EEEERP C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158340679 678393476 /nfs/dbraw/zinc/39/34/76/678393476.db2.gz SWJFDTAYBLBNOY-HEHGZKQESA-N 2 0 335.496 2.289 10 30 EEEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261758332 691208534 /nfs/dbraw/zinc/20/85/34/691208534.db2.gz OCXMRAYREBLWFX-RDJZCZTQSA-N 2 0 349.910 2.178 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001485706317 1191899610 /nfs/dbraw/zinc/89/96/10/1191899610.db2.gz DJIRFBMDFVYUDZ-UAPYVXQJSA-N 2 0 345.462 2.002 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]Cc2ccccc2)CC1 ZINC001485752433 1191922328 /nfs/dbraw/zinc/92/23/28/1191922328.db2.gz VTWYUNJMGGFACL-GOSISDBHSA-N 2 0 341.499 2.406 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001772514884 1176504369 /nfs/dbraw/zinc/50/43/69/1176504369.db2.gz DWWDWDLHGXZOLL-ZWKOTPCHSA-N 2 0 331.504 2.102 10 30 EEEERP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001671355529 1177007034 /nfs/dbraw/zinc/00/70/34/1177007034.db2.gz NDEPVYCYGXZVMS-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001691124215 1177614621 /nfs/dbraw/zinc/61/46/21/1177614621.db2.gz YBLGLHYEAPKOLV-IZAXUBKRSA-N 2 0 345.462 2.003 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001691128339 1177617512 /nfs/dbraw/zinc/61/75/12/1177617512.db2.gz DKSJQMCGCWJTCA-IYBDPMFKSA-N 2 0 331.460 2.243 10 30 EEEERP CN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691365389 1177975155 /nfs/dbraw/zinc/97/51/55/1177975155.db2.gz YZWYCRWTKHTRKW-GOSISDBHSA-N 2 0 347.890 2.224 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC/C=C\CCC)CC1 ZINC001267717374 1180268125 /nfs/dbraw/zinc/26/81/25/1180268125.db2.gz UEXPUIVJKJRJRS-XOUUWWQPSA-N 2 0 343.515 2.363 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001267913476 1180753127 /nfs/dbraw/zinc/75/31/27/1180753127.db2.gz QIOFWGCEWPAGAG-IBGZPJMESA-N 2 0 333.520 2.350 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC2CCCCC2)CC1 ZINC001268099858 1181745232 /nfs/dbraw/zinc/74/52/32/1181745232.db2.gz QICQXWBIDHSKQO-KRWDZBQOSA-N 2 0 333.520 2.348 10 30 EEEERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268523456 1183176574 /nfs/dbraw/zinc/17/65/74/1183176574.db2.gz QOOKTZUEBNUPIT-KVLZDYKBSA-N 2 0 345.874 2.048 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CC2=CCCCC2)CC1 ZINC001269515704 1184341690 /nfs/dbraw/zinc/34/16/90/1184341690.db2.gz HOLFALFSMOXOCK-LJQANCHMSA-N 2 0 331.504 2.316 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCC)C[C@H]2C)CC1 ZINC001671256662 1184932868 /nfs/dbraw/zinc/93/28/68/1184932868.db2.gz IVYHIXQWVNMPGY-MJGOQNOKSA-N 2 0 333.520 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCC)C[C@@H]2C)CC1 ZINC001671256660 1184933091 /nfs/dbraw/zinc/93/30/91/1184933091.db2.gz IVYHIXQWVNMPGY-HKUYNNGSSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001270364080 1185048891 /nfs/dbraw/zinc/04/88/91/1185048891.db2.gz LWGLNASNLSYGON-UHFFFAOYSA-N 2 0 333.520 2.299 10 30 EEEERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001691520498 1185655751 /nfs/dbraw/zinc/65/57/51/1185655751.db2.gz MOWGMQYEKNRKNS-SAABIXHNSA-N 2 0 347.890 2.128 10 30 EEEERP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001482474071 1186012141 /nfs/dbraw/zinc/01/21/41/1186012141.db2.gz BMVYHZWZBYQYKL-QUCCMNQESA-N 2 0 341.499 2.207 10 30 EEEERP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001271753472 1186462549 /nfs/dbraw/zinc/46/25/49/1186462549.db2.gz YCIHXYZECMROPM-XLIONFOSSA-N 2 0 345.531 2.348 10 30 EEEERP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485825006 1193464591 /nfs/dbraw/zinc/46/45/91/1193464591.db2.gz WWTRGXXNYCIHEU-OALUTQOASA-N 2 0 331.504 2.243 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482692425 1187659537 /nfs/dbraw/zinc/65/95/37/1187659537.db2.gz JKGDJHQMNIQMKF-MOPGFXCFSA-N 2 0 327.472 2.260 10 30 EEEERP CCN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)C[N@H+](C)C1CCC1 ZINC001482929958 1187850655 /nfs/dbraw/zinc/85/06/55/1187850655.db2.gz AIFXCOMKMXGLFC-UHFFFAOYSA-N 2 0 346.450 2.120 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](CC)c1ccccc1 ZINC001483019922 1188007437 /nfs/dbraw/zinc/00/74/37/1188007437.db2.gz RDMFHEPDYDSYLS-LTPVEEIWSA-N 2 0 339.483 2.497 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](CC)c1ccccc1 ZINC001483019924 1188007497 /nfs/dbraw/zinc/00/74/97/1188007497.db2.gz RDMFHEPDYDSYLS-XIKIPACMSA-N 2 0 339.483 2.497 10 30 EEEERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001409477302 1189810981 /nfs/dbraw/zinc/81/09/81/1189810981.db2.gz SPSLSTBDXJLDEY-IAGOWNOFSA-N 2 0 342.487 2.417 10 30 EEEERP CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001485946482 1193655091 /nfs/dbraw/zinc/65/50/91/1193655091.db2.gz FABMSXZRNOGNJO-KRWDZBQOSA-N 2 0 347.478 2.346 10 30 EEEERP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001483388230 1190429888 /nfs/dbraw/zinc/42/98/88/1190429888.db2.gz PFWHFJOQWXYCPK-QRQLOZEOSA-N 2 0 329.488 2.344 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001272321179 1190760028 /nfs/dbraw/zinc/76/00/28/1190760028.db2.gz FVEHBSFYYZIIJI-RTBURBONSA-N 2 0 331.504 2.006 10 30 EEEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001483939069 1191124441 /nfs/dbraw/zinc/12/44/41/1191124441.db2.gz YNBDPWVQHOXOHW-KRWDZBQOSA-N 2 0 339.443 2.428 10 30 EEEERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001485188097 1191685297 /nfs/dbraw/zinc/68/52/97/1191685297.db2.gz GYSUOECVJPXXIC-HUUCEWRRSA-N 2 0 335.879 2.126 10 30 EEEERP C[NH+](C)C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)C[C@H]1C[NH+](C)C ZINC000870017315 1200410029 /nfs/dbraw/zinc/41/00/29/1200410029.db2.gz JPJHQZOVUDWKFB-IAGOWNOFSA-N 2 0 334.508 2.048 10 30 EEEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1-n1ccc(C)n1 ZINC000128773491 1201629187 /nfs/dbraw/zinc/62/91/87/1201629187.db2.gz OBHRASORKNQGPJ-KRWDZBQOSA-N 2 0 340.475 2.069 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)CC#Cc1ccccc1 ZINC001275574042 1205423359 /nfs/dbraw/zinc/42/33/59/1205423359.db2.gz MRDXZCGRXFVZIA-UYAOXDASSA-N 2 0 341.499 2.349 10 30 EEEERP C=CCCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273823978 1286464147 /nfs/dbraw/zinc/46/41/47/1286464147.db2.gz GHEOLNFOGHIXKA-UXHICEINSA-N 2 0 341.499 2.447 10 30 EEEERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001490679941 1291561809 /nfs/dbraw/zinc/56/18/09/1291561809.db2.gz QCCIIHNRLFHGLN-SJORKVTESA-N 2 0 346.500 2.088 10 30 EEEERP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001276838832 1299862864 /nfs/dbraw/zinc/86/28/64/1299862864.db2.gz BZSNDQGRBCBORC-IPMKNSEASA-N 2 0 331.504 2.102 10 30 EEEERP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001277537442 1303851081 /nfs/dbraw/zinc/85/10/81/1303851081.db2.gz DJBKWGBMMKRGET-PZJWPPBQSA-N 2 0 339.483 2.237 10 30 EEEERP C#CC[NH2+]CCC[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001277547454 1303884427 /nfs/dbraw/zinc/88/44/27/1303884427.db2.gz GASUSZWUTSKEAK-MJGOQNOKSA-N 2 0 327.472 2.189 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC)c2ccccc2CC)CC1 ZINC001278978220 1318903447 /nfs/dbraw/zinc/90/34/47/1318903447.db2.gz YJSARCMLXNMPGK-FQEVSTJZSA-N 2 0 341.499 2.361 10 30 EEEERP C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001263878206 1322545234 /nfs/dbraw/zinc/54/52/34/1322545234.db2.gz PYPRILKKKISXAD-MXVIHJGJSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001264740282 1322797788 /nfs/dbraw/zinc/79/77/88/1322797788.db2.gz MAXVXFMWFDAQTG-IRXDYDNUSA-N 2 0 325.472 2.003 10 30 EEEERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC001265103927 1322921036 /nfs/dbraw/zinc/92/10/36/1322921036.db2.gz CBIKYAYPQZCIHY-SFHVURJKSA-N 2 0 346.450 2.120 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265596574 1323253133 /nfs/dbraw/zinc/25/31/33/1323253133.db2.gz GDOLEQLEWAXXNO-RBUKOAKNSA-N 2 0 333.520 2.348 10 30 EEEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001265682215 1323317962 /nfs/dbraw/zinc/31/79/62/1323317962.db2.gz NGKBLAQLVDGPOS-YJBOKZPZSA-N 2 0 325.472 2.356 10 30 EEEERP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001266009120 1323561941 /nfs/dbraw/zinc/56/19/41/1323561941.db2.gz NOJYLVLXABTXFZ-MJGOQNOKSA-N 2 0 331.504 2.245 10 30 EEEERP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001279410337 1323900602 /nfs/dbraw/zinc/90/06/02/1323900602.db2.gz WVHAUGJVSUHJRX-QRVBRYPASA-N 2 0 333.520 2.465 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001491829302 1330266462 /nfs/dbraw/zinc/26/64/62/1330266462.db2.gz IURCUNPYAFQWJX-HKUYNNGSSA-N 2 0 331.504 2.245 10 30 EEEERP C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001317201156 1332129607 /nfs/dbraw/zinc/12/96/07/1332129607.db2.gz ZBIVNCURDDJXGC-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@H](CCNC(=O)Cc1c[nH]cn1)[NH2+]CC#Cc1ccccc1Cl ZINC001317408071 1332217365 /nfs/dbraw/zinc/21/73/65/1332217365.db2.gz HRGNKYIHTLFTGZ-CQSZACIVSA-N 2 0 344.846 2.142 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001317802874 1332414269 /nfs/dbraw/zinc/41/42/69/1332414269.db2.gz ZSWYYTRIIGRQKZ-LJQANCHMSA-N 2 0 341.499 2.256 10 30 EEEERP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001319241478 1332669713 /nfs/dbraw/zinc/66/97/13/1332669713.db2.gz CVGUBUXUZSCSML-UHOSZYNNSA-N 2 0 329.488 2.250 10 30 EEEERP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001319271378 1332673720 /nfs/dbraw/zinc/67/37/20/1332673720.db2.gz ZUIVVKLPAMZYFF-APWZRJJASA-N 2 0 347.478 2.105 10 30 EEEERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001321234488 1333050593 /nfs/dbraw/zinc/05/05/93/1333050593.db2.gz XUPLUNFBSGDXGD-OOFWQKGWSA-N 2 0 346.450 2.046 10 30 EEEERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001322054983 1333202152 /nfs/dbraw/zinc/20/21/52/1333202152.db2.gz XRWXFVOPJOQRGN-HNNXBMFYSA-N 2 0 335.879 2.128 10 30 EEEERP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001324414198 1333677491 /nfs/dbraw/zinc/67/74/91/1333677491.db2.gz UHUZGJOZCCRUCD-MRXNPFEDSA-N 2 0 325.472 2.003 10 30 EEEERP C#CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)c1ccc2ccccc2c1 ZINC001324452007 1333686546 /nfs/dbraw/zinc/68/65/46/1333686546.db2.gz SAXKOOXMTZRUMY-FQEVSTJZSA-N 2 0 347.462 2.316 10 30 EEEERP C#CC[NH2+]C1(CC)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001327467841 1334297690 /nfs/dbraw/zinc/29/76/90/1334297690.db2.gz QKFBSIJWDFOFAC-UHFFFAOYSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C(F)(F)F ZINC001333021427 1335949144 /nfs/dbraw/zinc/94/91/44/1335949144.db2.gz OWCFVDLFKBRMKI-CABCVRRESA-N 2 0 347.425 2.416 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001566912225 1342651473 /nfs/dbraw/zinc/65/14/73/1342651473.db2.gz DMTKLAXHVKVHBG-MOPGFXCFSA-N 2 0 333.520 2.348 10 30 EEEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567743099 1342831507 /nfs/dbraw/zinc/83/15/07/1342831507.db2.gz UYHUOHAWWLCOOX-SFHVURJKSA-N 2 0 333.520 2.465 10 30 EEEERP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](CC#Cc2ccccc2)CC1 ZINC001569577628 1342900958 /nfs/dbraw/zinc/90/09/58/1342900958.db2.gz YZGSSMABBKZSGM-UHFFFAOYSA-N 2 0 341.499 2.351 10 30 EEEERP COCC#CC[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001659212959 1354377277 /nfs/dbraw/zinc/37/72/77/1354377277.db2.gz TWLWHZALAOVAPZ-HDICACEKSA-N 2 0 330.472 2.377 10 30 EEEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001661235066 1354614401 /nfs/dbraw/zinc/61/44/01/1354614401.db2.gz DBXUFRCFSDFSSP-RTBURBONSA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001669750476 1356203368 /nfs/dbraw/zinc/20/33/68/1356203368.db2.gz LQUZLVDINXZWNC-JKSUJKDBSA-N 2 0 345.462 2.326 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001672816197 1356590911 /nfs/dbraw/zinc/59/09/11/1356590911.db2.gz NNQXRVOSWMGAJJ-QGZVFWFLSA-N 2 0 333.520 2.491 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001674142531 1356797304 /nfs/dbraw/zinc/79/73/04/1356797304.db2.gz UEJGWKXHIDZRQE-SJORKVTESA-N 2 0 337.508 2.033 10 30 EEEERP CN(CCC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)C[NH+]1CCCC1 ZINC001699549994 1405385175 /nfs/dbraw/zinc/38/51/75/1405385175.db2.gz AZETWIMMMPAVIZ-UHFFFAOYSA-N 2 0 347.890 2.225 10 30 EEEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001566075532 1125547840 /nfs/dbraw/zinc/54/78/40/1125547840.db2.gz MSXXLRRBAUQCLK-FQEVSTJZSA-N 2 0 345.531 2.493 10 30 EEEERP C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001439151892 1091793148 /nfs/dbraw/zinc/79/31/48/1091793148.db2.gz FREVKSJBGDGMAR-CQSZACIVSA-N 2 0 348.466 2.270 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001439286321 1091946465 /nfs/dbraw/zinc/94/64/65/1091946465.db2.gz SXQAEGLSFUUOMA-MAUKXSAKSA-N 2 0 328.460 2.027 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)CC1(C)C ZINC001448393088 1093389624 /nfs/dbraw/zinc/38/96/24/1093389624.db2.gz HXYDBTJQGBYKQV-GOSISDBHSA-N 2 0 342.487 2.225 10 30 EEEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001441862111 1095966591 /nfs/dbraw/zinc/96/65/91/1095966591.db2.gz FJHDGRIXINTBFC-ARFHVFGLSA-N 2 0 339.911 2.297 10 30 EEEERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N)[NH+]1CCCC1 ZINC001442057947 1096270444 /nfs/dbraw/zinc/27/04/44/1096270444.db2.gz DCEJRORBTZDSPJ-QFBILLFUSA-N 2 0 342.487 2.273 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2C#N)CC1 ZINC001444190668 1098741414 /nfs/dbraw/zinc/74/14/14/1098741414.db2.gz RUQYNARZHFELHE-IYARVYRRSA-N 2 0 328.460 2.027 10 30 EEEERP CC#CC[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001479843634 1099135502 /nfs/dbraw/zinc/13/55/02/1099135502.db2.gz HOLWPISMGDMFFG-GOSISDBHSA-N 2 0 333.520 2.493 10 30 EEEERP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cc(F)ccc1C#N ZINC001496640462 1101245241 /nfs/dbraw/zinc/24/52/41/1101245241.db2.gz BKWOBYCQICYCSH-SFHVURJKSA-N 2 0 348.466 2.268 10 30 EEEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494022546 1103369196 /nfs/dbraw/zinc/36/91/96/1103369196.db2.gz VGCHFKQYMOOSDI-IEBWSBKVSA-N 2 0 331.504 2.245 10 30 EEEERP C=CCC[NH+]1CC[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001493240732 1107754653 /nfs/dbraw/zinc/75/46/53/1107754653.db2.gz UJLVUHGRKNRIQF-QAPCUYQASA-N 2 0 325.472 2.213 10 30 EEEERP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001501172031 1113227435 /nfs/dbraw/zinc/22/74/35/1113227435.db2.gz LYBWSBBDTHZWFU-WCXIOVBPSA-N 2 0 339.911 2.440 10 30 EEEERP C[C@@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC#Cc1ccccc1 ZINC001503503175 1113889906 /nfs/dbraw/zinc/88/99/06/1113889906.db2.gz VHCHWEAJLCQDBT-SFHVURJKSA-N 2 0 341.499 2.254 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC001507298915 1115180504 /nfs/dbraw/zinc/18/05/04/1115180504.db2.gz RZVLBDGWAGSQQG-RDTXWAMCSA-N 2 0 346.450 2.117 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC001507298913 1115180604 /nfs/dbraw/zinc/18/06/04/1115180604.db2.gz RZVLBDGWAGSQQG-KDOFPFPSSA-N 2 0 346.450 2.117 10 30 EEEERP CC#CC[NH2+][C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1ccccc1 ZINC001507390221 1115247173 /nfs/dbraw/zinc/24/71/73/1115247173.db2.gz SWDKLEIYFKBVCV-UYAOXDASSA-N 2 0 341.499 2.059 10 30 EEEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC001507431417 1115265198 /nfs/dbraw/zinc/26/51/98/1115265198.db2.gz MPNZGRGQMDRBAN-MJGOQNOKSA-N 2 0 345.531 2.491 10 30 EEEERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC001508015909 1115388611 /nfs/dbraw/zinc/38/86/11/1115388611.db2.gz HWCYNJKIMYVZBO-QGZVFWFLSA-N 2 0 348.466 2.270 10 30 EEEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001568094842 1124298581 /nfs/dbraw/zinc/29/85/81/1124298581.db2.gz QKHHRZOCEJGKKU-OALUTQOASA-N 2 0 331.504 2.245 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001568220030 1124363210 /nfs/dbraw/zinc/36/32/10/1124363210.db2.gz IHEVUZLGSGTWDB-MOPGFXCFSA-N 2 0 349.519 2.177 10 30 EEEERP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001568410129 1124479404 /nfs/dbraw/zinc/47/94/04/1124479404.db2.gz RLQXNEOBFCZEJA-MSOLQXFVSA-N 2 0 333.520 2.491 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001568858435 1124881873 /nfs/dbraw/zinc/88/18/73/1124881873.db2.gz NEEGIFCKXYXGNG-YJJPMGAVSA-N 2 0 339.483 2.175 10 30 EEEERP CC(C)CO[C@@H]1CCN(CC#CC[N@@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000341879632 465271961 /nfs/dbraw/zinc/27/19/61/465271961.db2.gz BYNWGCKBNWAFND-WOJBJXKFSA-N 2 0 336.520 2.484 10 30 EEEERP C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000569256654 468465492 /nfs/dbraw/zinc/46/54/92/468465492.db2.gz LHEJATVBLOETGT-KRWDZBQOSA-N 2 0 340.471 2.003 10 30 EEEERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C2)CC1 ZINC000594436305 468585709 /nfs/dbraw/zinc/58/57/09/468585709.db2.gz CXDZOKKWAMFEPI-ZWKOTPCHSA-N 2 0 334.508 2.368 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594441087 468589477 /nfs/dbraw/zinc/58/94/77/468589477.db2.gz MMDSUNHUAZVVTO-RBUKOAKNSA-N 2 0 342.487 2.426 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594441086 468589533 /nfs/dbraw/zinc/58/95/33/468589533.db2.gz MMDSUNHUAZVVTO-OALUTQOASA-N 2 0 342.487 2.426 10 30 EEEERP N#CCCCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000594449411 468593967 /nfs/dbraw/zinc/59/39/67/468593967.db2.gz IPLDXZVHNFPCER-UHFFFAOYSA-N 2 0 328.460 2.180 10 30 EEEERP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc2ncccc2cc1C#N ZINC000596149241 469175273 /nfs/dbraw/zinc/17/52/73/469175273.db2.gz SPSQNEBWDHGTSK-UHFFFAOYSA-N 2 0 340.475 2.211 10 30 EEEERP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(C#N)nc2ccccc21 ZINC000596359359 469250326 /nfs/dbraw/zinc/25/03/26/469250326.db2.gz BFCSZKURDMALJA-HNNXBMFYSA-N 2 0 325.460 2.212 10 30 EEEERP CC#CC[C@@H](CO)[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000641767724 470474118 /nfs/dbraw/zinc/47/41/18/470474118.db2.gz PTHBLKDSJABQAI-IBGZPJMESA-N 2 0 329.488 2.083 10 30 EEEERP C=CC[NH2+]CCCN(Cc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001485768610 1191942207 /nfs/dbraw/zinc/94/22/07/1191942207.db2.gz UQZJSAFJTLSZNK-UHFFFAOYSA-N 2 0 327.472 2.277 10 30 EEEERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001266544640 1176802710 /nfs/dbraw/zinc/80/27/10/1176802710.db2.gz FKOZYQASUROXOM-LJQANCHMSA-N 2 0 342.487 2.228 10 30 EEEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CC ZINC001670582065 1176925672 /nfs/dbraw/zinc/92/56/72/1176925672.db2.gz QCHZRQKCUQQFCK-QZTJIDSGSA-N 2 0 331.504 2.102 10 30 EEEERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001266813086 1177472105 /nfs/dbraw/zinc/47/21/05/1177472105.db2.gz DFUBZAQAFCAYLS-HNNXBMFYSA-N 2 0 348.516 2.290 10 30 EEEERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001267004770 1178067594 /nfs/dbraw/zinc/06/75/94/1178067594.db2.gz IRLGGDHJRAPJNY-GOSISDBHSA-N 2 0 349.906 2.326 10 30 EEEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267093837 1178225758 /nfs/dbraw/zinc/22/57/58/1178225758.db2.gz PBHMBEKNOMONRQ-OALUTQOASA-N 2 0 327.472 2.402 10 30 EEEERP CC#CC[NH2+]C[C@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001267873074 1180663245 /nfs/dbraw/zinc/66/32/45/1180663245.db2.gz HHNPGAYQBHHPHX-FXAWDEMLSA-N 2 0 333.520 2.396 10 30 EEEERP C#CC[NH+]1CCC(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001267948481 1180808804 /nfs/dbraw/zinc/80/88/04/1180808804.db2.gz HMQTZGPNIJGADQ-UHFFFAOYSA-N 2 0 327.472 2.213 10 30 EEEERP CC[C@@H](C(=O)NCC1CN(CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001481645867 1182062981 /nfs/dbraw/zinc/06/29/81/1182062981.db2.gz ZEUVFQJOJHBEOK-FQEVSTJZSA-N 2 0 341.499 2.207 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)Cc2cccc(F)c2)CC1 ZINC001268760575 1183676511 /nfs/dbraw/zinc/67/65/11/1183676511.db2.gz WIBWXRSMZQOSNF-INIZCTEOSA-N 2 0 345.462 2.107 10 30 EEEERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001269498109 1184320768 /nfs/dbraw/zinc/32/07/68/1184320768.db2.gz NYGDJZQPTIMZMJ-OALUTQOASA-N 2 0 347.478 2.248 10 30 EEEERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC#Cc1ccccc1Cl ZINC001269510929 1184332683 /nfs/dbraw/zinc/33/26/83/1184332683.db2.gz SYYKWDMTQIOORF-IAGOWNOFSA-N 2 0 347.890 2.128 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001269797880 1184626866 /nfs/dbraw/zinc/62/68/66/1184626866.db2.gz DTKNZZBDORXJAG-RBUKOAKNSA-N 2 0 333.520 2.348 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001270051540 1184812408 /nfs/dbraw/zinc/81/24/08/1184812408.db2.gz YARZLBPEOSQNAK-HKUYNNGSSA-N 2 0 331.504 2.245 10 30 EEEERP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001270807181 1185406482 /nfs/dbraw/zinc/40/64/82/1185406482.db2.gz WGUYCZCLZNVVLC-ROUUACIJSA-N 2 0 349.519 2.225 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CC(C)C)CC1 ZINC001482460763 1185925634 /nfs/dbraw/zinc/92/56/34/1185925634.db2.gz LLFQMULJXRVWIC-LJQANCHMSA-N 2 0 333.520 2.348 10 30 EEEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001482475356 1186022761 /nfs/dbraw/zinc/02/27/61/1186022761.db2.gz ZOUGTMATAWHWHS-HOTGVXAUSA-N 2 0 339.443 2.284 10 30 EEEERP CC#CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001271445936 1186232115 /nfs/dbraw/zinc/23/21/15/1186232115.db2.gz IVNTVFCEBADNQF-XLIONFOSSA-N 2 0 341.499 2.361 10 30 EEEERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC#Cc1ccccc1 ZINC001482532912 1186537227 /nfs/dbraw/zinc/53/72/27/1186537227.db2.gz IXQUKSARHZYLBC-HXUWFJFHSA-N 2 0 341.499 2.253 10 30 EEEERP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C[C@H]2C1 ZINC001271893023 1186587785 /nfs/dbraw/zinc/58/77/85/1186587785.db2.gz ZRCFKMKCJASHHE-ZCNNSNEGSA-N 2 0 339.483 2.093 10 30 EEEERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001483144177 1188750795 /nfs/dbraw/zinc/75/07/95/1188750795.db2.gz RGUHSUYFTBRPLO-VQIMIIECSA-N 2 0 342.487 2.273 10 30 EEEERP C=C(Br)C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001409413714 1189644297 /nfs/dbraw/zinc/64/42/97/1189644297.db2.gz XZYVTRKKYLQWTF-CHWSQXEVSA-N 2 0 344.297 2.006 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CCc2ccccc2)CC1 ZINC001483422362 1190469262 /nfs/dbraw/zinc/46/92/62/1190469262.db2.gz WMMKIKDCFURXEC-GOSISDBHSA-N 2 0 341.499 2.011 10 30 EEEERP CN(CCC[NH2+]Cc1ccc(C#N)cc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001483485155 1190503833 /nfs/dbraw/zinc/50/38/33/1190503833.db2.gz ZWNGJHVKBPZJSL-UHFFFAOYSA-N 2 0 342.487 2.371 10 30 EEEERP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272670573 1191009099 /nfs/dbraw/zinc/00/90/99/1191009099.db2.gz VLJWJWQRMJCIKU-HXUWFJFHSA-N 2 0 339.483 2.100 10 30 EEEERP C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001483799022 1191036805 /nfs/dbraw/zinc/03/68/05/1191036805.db2.gz LVSPRDLSFXCKRP-MRXNPFEDSA-N 2 0 327.900 2.251 10 30 EEEERP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](CCC(=C)C)CC1 ZINC001483987670 1191143474 /nfs/dbraw/zinc/14/34/74/1191143474.db2.gz ZEWPQGDMEGCBOW-SFHVURJKSA-N 2 0 331.504 2.221 10 30 EEEERP C#CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](CC(=C)C)CC1 ZINC001483989452 1191144461 /nfs/dbraw/zinc/14/44/61/1191144461.db2.gz KCWUJJSYPVLFMP-QZTJIDSGSA-N 2 0 331.504 2.362 10 30 EEEERP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001484373055 1191320520 /nfs/dbraw/zinc/32/05/20/1191320520.db2.gz UQWVLBNVJKBJTR-GOEBONIOSA-N 2 0 339.911 2.299 10 30 EEEERP C#CC[N@H+]1CCc2c(CNC(=O)C(C)(C)[NH+]3CCCC3)cccc2C1 ZINC001484613284 1191437966 /nfs/dbraw/zinc/43/79/66/1191437966.db2.gz ZRSMOSWHNOECFB-UHFFFAOYSA-N 2 0 339.483 2.169 10 30 EEEERP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)O2 ZINC001484790023 1191526826 /nfs/dbraw/zinc/52/68/26/1191526826.db2.gz JLPGEABOZUTGFQ-QZTJIDSGSA-N 2 0 349.519 2.033 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]C[C@@H](F)CC)CC2)CC1 ZINC001484928128 1191574155 /nfs/dbraw/zinc/57/41/55/1191574155.db2.gz IBOSLSXTWWLNMU-KRWDZBQOSA-N 2 0 337.483 2.050 10 30 EEEERP C=CCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001484987613 1191603492 /nfs/dbraw/zinc/60/34/92/1191603492.db2.gz DEAPVXXWSJWLOI-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001485183136 1191679875 /nfs/dbraw/zinc/67/98/75/1191679875.db2.gz ZPEHBVQPEWTVGS-UONOGXRCSA-N 2 0 348.516 2.477 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001485386851 1191774665 /nfs/dbraw/zinc/77/46/65/1191774665.db2.gz AMFGYWLNPQHFRI-QFBILLFUSA-N 2 0 342.487 2.369 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001486186001 1193726562 /nfs/dbraw/zinc/72/65/62/1193726562.db2.gz FUKSREMYAIWBSE-VQIMIIECSA-N 2 0 342.487 2.368 10 30 EEEERP Cc1nc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(Cl)cc1C#N ZINC000866012203 1198454284 /nfs/dbraw/zinc/45/42/84/1198454284.db2.gz UDVVFJYZKREIGF-HUUCEWRRSA-N 2 0 335.883 2.091 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000876932338 1199822845 /nfs/dbraw/zinc/82/28/45/1199822845.db2.gz KERGAZKACJOBEP-GVDBMIGSSA-N 2 0 333.863 2.189 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000876951420 1199828347 /nfs/dbraw/zinc/82/83/47/1199828347.db2.gz MMWVBZZVQYJIST-QGZVFWFLSA-N 2 0 346.862 2.109 10 30 EEEERP COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666485 1201574615 /nfs/dbraw/zinc/57/46/15/1201574615.db2.gz SPYNHNVBTAKKMO-SQNIBIBYSA-N 2 0 327.428 2.094 10 30 EEEERP C=CCN1CCc2ccccc2[C@@H]1CNC(=O)CCc1cncn1C ZINC001274856010 1205189005 /nfs/dbraw/zinc/18/90/05/1205189005.db2.gz HZFFFSPWGJTNAI-IBGZPJMESA-N 2 0 338.455 2.254 10 30 EEEERP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@H]1C ZINC001691745162 1257133177 /nfs/dbraw/zinc/13/31/77/1257133177.db2.gz SCKRIFVIEITSGK-NZSAHSFTSA-N 2 0 327.472 2.282 10 30 EEEERP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001273607332 1281075232 /nfs/dbraw/zinc/07/52/32/1281075232.db2.gz LWIQGQYXEMSHMD-RBUKOAKNSA-N 2 0 333.520 2.445 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2n(n1)CCC[C@@H]2[NH3+])C(C)C ZINC001121991227 1310194177 /nfs/dbraw/zinc/19/41/77/1310194177.db2.gz OEAIVSCBSLBKRL-MAUKXSAKSA-N 2 0 345.491 2.105 10 30 EEEERP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489347610 1290531023 /nfs/dbraw/zinc/53/10/23/1290531023.db2.gz BNSAVPUNOCPDHC-SFHVURJKSA-N 2 0 333.520 2.493 10 30 EEEERP CC[NH+](CC)Cc1cccc(CNC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852858090 1292218438 /nfs/dbraw/zinc/21/84/38/1292218438.db2.gz PPHUIJUCUXFBLV-UHFFFAOYSA-N 2 0 327.472 2.148 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001277357042 1302622614 /nfs/dbraw/zinc/62/26/14/1302622614.db2.gz YQJXKHYZPSZYON-INIZCTEOSA-N 2 0 328.460 2.029 10 30 EEEERP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001277537443 1303851575 /nfs/dbraw/zinc/85/15/75/1303851575.db2.gz DJBKWGBMMKRGET-TZIWHRDSSA-N 2 0 339.483 2.237 10 30 EEEERP C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001278163088 1306144773 /nfs/dbraw/zinc/14/47/73/1306144773.db2.gz AXOLDOCWNGBOIV-HKUYNNGSSA-N 2 0 331.504 2.338 10 30 EEEERP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CCC=C)CC1 ZINC001278194362 1306243217 /nfs/dbraw/zinc/24/32/17/1306243217.db2.gz LGGVWHTYQWKWJR-UHFFFAOYSA-N 2 0 331.504 2.221 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001263832051 1322531797 /nfs/dbraw/zinc/53/17/97/1322531797.db2.gz IJRZLDOPXKPVCP-OKZBNKHCSA-N 2 0 331.504 2.149 10 30 EEEERP C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001264402358 1322691801 /nfs/dbraw/zinc/69/18/01/1322691801.db2.gz ZQYLLAMSCXYOPM-IZAXUBKRSA-N 2 0 345.462 2.003 10 30 EEEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001264679256 1322780354 /nfs/dbraw/zinc/78/03/54/1322780354.db2.gz AMZZHXDNIFICJK-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001265798767 1323386950 /nfs/dbraw/zinc/38/69/50/1323386950.db2.gz KINUPNWXMSZOIH-LSDHHAIUSA-N 2 0 327.432 2.330 10 30 EEEERP C[NH+](CC(=O)NCCC[N@@H+](C)Cc1cc(C#N)ccc1F)C1CCC1 ZINC001265862620 1323435893 /nfs/dbraw/zinc/43/58/93/1323435893.db2.gz FJYNFCCCRKZHCV-UHFFFAOYSA-N 2 0 346.450 2.120 10 30 EEEERP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001279590432 1323951171 /nfs/dbraw/zinc/95/11/71/1323951171.db2.gz BATVFNXJPQIWDR-QGZVFWFLSA-N 2 0 328.460 2.160 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2csc(C)c2)CC1 ZINC001282244193 1325667393 /nfs/dbraw/zinc/66/73/93/1325667393.db2.gz ZEGZXTQEHYGTAC-CVEARBPZSA-N 2 0 347.528 2.385 10 30 EEEERP C[C@@H](CCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001283145344 1325934021 /nfs/dbraw/zinc/93/40/21/1325934021.db2.gz DZFAKEIRYXYDRG-MAUKXSAKSA-N 2 0 328.460 2.027 10 30 EEEERP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001284738120 1326690244 /nfs/dbraw/zinc/69/02/44/1326690244.db2.gz SPRYUTNQQQZFSJ-KBPBESRZSA-N 2 0 335.414 2.272 10 30 EEEERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001492110853 1330479805 /nfs/dbraw/zinc/47/98/05/1330479805.db2.gz SZBDEYMHBMNEDT-GDBMZVCRSA-N 2 0 346.450 2.024 10 30 EEEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001317004787 1332040689 /nfs/dbraw/zinc/04/06/89/1332040689.db2.gz DQBLJWNMYZGNSW-PXNSSMCTSA-N 2 0 331.504 2.409 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317041580 1332056419 /nfs/dbraw/zinc/05/64/19/1332056419.db2.gz CYQZOVHPYZXOKV-KRWDZBQOSA-N 2 0 338.455 2.450 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001318818670 1332604054 /nfs/dbraw/zinc/60/40/54/1332604054.db2.gz AXBCDWDRNNDRKM-SFHVURJKSA-N 2 0 341.499 2.256 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCc2cccs2)CC1 ZINC001319588968 1332724682 /nfs/dbraw/zinc/72/46/82/1332724682.db2.gz HGSPJMFOYFJLEF-MRXNPFEDSA-N 2 0 347.528 2.072 10 30 EEEERP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001320450974 1332886929 /nfs/dbraw/zinc/88/69/29/1332886929.db2.gz SMSVHADUDRSQLE-KGLIPLIRSA-N 2 0 346.313 2.254 10 30 EEEERP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001320450973 1332887063 /nfs/dbraw/zinc/88/70/63/1332887063.db2.gz SMSVHADUDRSQLE-KBPBESRZSA-N 2 0 346.313 2.254 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001320642812 1332927126 /nfs/dbraw/zinc/92/71/26/1332927126.db2.gz BCMVPMQJKQYYLG-VQIMIIECSA-N 2 0 342.487 2.417 10 30 EEEERP CN(CCC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001322569442 1333285286 /nfs/dbraw/zinc/28/52/86/1333285286.db2.gz KTWHEMTXUQGILS-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001323048188 1333374942 /nfs/dbraw/zinc/37/49/42/1333374942.db2.gz QZFDKKLGOJQITQ-RBUKOAKNSA-N 2 0 331.504 2.291 10 30 EEEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1CC ZINC001323167955 1333402303 /nfs/dbraw/zinc/40/23/03/1333402303.db2.gz KFODOEFFAMQQET-RTBURBONSA-N 2 0 333.520 2.493 10 30 EEEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc(CN(C)C)on2)C1 ZINC001325416205 1333882257 /nfs/dbraw/zinc/88/22/57/1333882257.db2.gz KWDRXYMFVMNOOV-LSDHHAIUSA-N 2 0 334.464 2.143 10 30 EEEERP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001325707868 1333944621 /nfs/dbraw/zinc/94/46/21/1333944621.db2.gz FKRREJNDQHMPCM-KRWDZBQOSA-N 2 0 335.879 2.309 10 30 EEEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001326542658 1334113319 /nfs/dbraw/zinc/11/33/19/1334113319.db2.gz YISPVVRDPGDHFS-KESTWPANSA-N 2 0 341.499 2.302 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC(CC)CC)C[C@@H]2C)CC1 ZINC001332063882 1335717021 /nfs/dbraw/zinc/71/70/21/1335717021.db2.gz KECGSLCOSANQFH-LPHOPBHVSA-N 2 0 333.520 2.347 10 30 EEEERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001567022586 1342681494 /nfs/dbraw/zinc/68/14/94/1342681494.db2.gz MXNFEFRSFLZLTR-HNNXBMFYSA-N 2 0 347.890 2.270 10 30 EEEERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC#Cc1ccccc1 ZINC001567059479 1342688550 /nfs/dbraw/zinc/68/85/50/1342688550.db2.gz OJXZSLWGRBYYCG-RTBURBONSA-N 2 0 341.499 2.397 10 30 EEEERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC#Cc1ccccc1 ZINC001567059476 1342689042 /nfs/dbraw/zinc/68/90/42/1342689042.db2.gz OJXZSLWGRBYYCG-MOPGFXCFSA-N 2 0 341.499 2.397 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001570219863 1343035029 /nfs/dbraw/zinc/03/50/29/1343035029.db2.gz IGALVEBRLDZRTN-MOPGFXCFSA-N 2 0 333.520 2.301 10 30 EEEERP C#CCC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001657101803 1354325314 /nfs/dbraw/zinc/32/53/14/1354325314.db2.gz HVFZKJXNWWWHBU-MSOLQXFVSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001661220946 1354611176 /nfs/dbraw/zinc/61/11/76/1354611176.db2.gz LSALYLOOAQLHGO-MOPGFXCFSA-N 2 0 333.520 2.302 10 30 EEEERP C=CCOCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001661996687 1354739220 /nfs/dbraw/zinc/73/92/20/1354739220.db2.gz OVXSLHSOEBVMCC-QZTJIDSGSA-N 2 0 349.519 2.034 10 30 EEEERP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001667414116 1355737249 /nfs/dbraw/zinc/73/72/49/1355737249.db2.gz XBGUAVWJSZMXLZ-IBGZPJMESA-N 2 0 333.520 2.445 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001667750909 1355805953 /nfs/dbraw/zinc/80/59/53/1355805953.db2.gz FLTJQMHMIBJDJT-VQTJNVASSA-N 2 0 341.499 2.302 10 30 EEEERP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](CC2CCCC2)CC1 ZINC001671492244 1356349818 /nfs/dbraw/zinc/34/98/18/1356349818.db2.gz ULAHDENYOCHVPF-GOSISDBHSA-N 2 0 345.531 2.445 10 30 EEEERP C#CCC[NH+]1CCC(N(CC#C)C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001671507883 1356352744 /nfs/dbraw/zinc/35/27/44/1356352744.db2.gz KBBGLEMYLZBNFC-UHFFFAOYSA-N 2 0 343.515 2.202 10 30 EEEERP C=CCOCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001672543402 1356551631 /nfs/dbraw/zinc/55/16/31/1356551631.db2.gz IPGXBRQAHSGQJY-OALUTQOASA-N 2 0 349.519 2.130 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC/C=C\CC)CC1 ZINC001691839532 1404950176 /nfs/dbraw/zinc/95/01/76/1404950176.db2.gz OMHKTSDGFVHHCU-GGJLBNBESA-N 2 0 343.515 2.363 10 30 EEEERP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000940882428 779459581 /nfs/dbraw/zinc/45/95/81/779459581.db2.gz QLWJBCXDRUBLNM-QGZVFWFLSA-N 2 0 339.443 2.284 10 30 EEEERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001436480515 1087961797 /nfs/dbraw/zinc/96/17/97/1087961797.db2.gz UZSALAVFZBLUAJ-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001437305592 1089460460 /nfs/dbraw/zinc/46/04/60/1089460460.db2.gz BMQOVNQCWZHGHM-HZPDHXFCSA-N 2 0 327.900 2.442 10 30 EEEERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(C#N)cc1F ZINC001437369998 1089609920 /nfs/dbraw/zinc/60/99/20/1089609920.db2.gz DTNFRUNDGLIHET-CKEIUWERSA-N 2 0 346.450 2.022 10 30 EEEERP C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)Cc1ccc(C#N)cc1 ZINC001437480041 1089825903 /nfs/dbraw/zinc/82/59/03/1089825903.db2.gz BIXAKUMMPUNZQS-OALUTQOASA-N 2 0 340.471 2.123 10 30 EEEERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001438343520 1090820046 /nfs/dbraw/zinc/82/00/46/1090820046.db2.gz NREVDKVCAGHJSD-QZTJIDSGSA-N 2 0 346.450 2.166 10 30 EEEERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001438806438 1091416445 /nfs/dbraw/zinc/41/64/45/1091416445.db2.gz DMDLBENFGNLWQZ-LZQZEXGQSA-N 2 0 342.487 2.129 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001439675451 1092615991 /nfs/dbraw/zinc/61/59/91/1092615991.db2.gz HVANLJIFTMQPIB-OKILXGFUSA-N 2 0 346.500 2.231 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001441524222 1095225932 /nfs/dbraw/zinc/22/59/32/1095225932.db2.gz OPXBXSZFHXRWTD-QFBILLFUSA-N 2 0 342.487 2.369 10 30 EEEERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N)[NH+]1CCCC1 ZINC001442057940 1096270558 /nfs/dbraw/zinc/27/05/58/1096270558.db2.gz DCEJRORBTZDSPJ-APWZRJJASA-N 2 0 342.487 2.273 10 30 EEEERP C#CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001479615924 1098639810 /nfs/dbraw/zinc/63/98/10/1098639810.db2.gz YXGHFUPOYFWZSK-QRQLOZEOSA-N 2 0 331.504 2.099 10 30 EEEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001479695977 1098766138 /nfs/dbraw/zinc/76/61/38/1098766138.db2.gz QZHRGTIGWWMNQW-RBUKOAKNSA-N 2 0 333.520 2.491 10 30 EEEERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444328730 1098894475 /nfs/dbraw/zinc/89/44/75/1098894475.db2.gz PIYKCQIJKQIJPM-VQIMIIECSA-N 2 0 342.487 2.275 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H](C)[NH2+]CCCF)CC1 ZINC001479835887 1099119606 /nfs/dbraw/zinc/11/96/06/1099119606.db2.gz YOGLENOISFRHLI-AEFFLSMTSA-N 2 0 337.483 2.050 10 30 EEEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001480078652 1099622639 /nfs/dbraw/zinc/62/26/39/1099622639.db2.gz VRFNQOFIGCBZLL-HNNXBMFYSA-N 2 0 333.501 2.227 10 30 EEEERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480144053 1099711753 /nfs/dbraw/zinc/71/17/53/1099711753.db2.gz VIMJOSRQBHHKTM-RBSFLKMASA-N 2 0 346.500 2.231 10 30 EEEERP C[C@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444826784 1099772309 /nfs/dbraw/zinc/77/23/09/1099772309.db2.gz YTNNMQNOURMDQE-QFBILLFUSA-N 2 0 342.487 2.227 10 30 EEEERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001480238216 1099869490 /nfs/dbraw/zinc/86/94/90/1099869490.db2.gz PTLXQXXCGFBHPQ-QGZVKYPTSA-N 2 0 339.483 2.148 10 30 EEEERP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001480382522 1100174794 /nfs/dbraw/zinc/17/47/94/1100174794.db2.gz JTLVJQIUJAQOLF-WMZOPIPTSA-N 2 0 342.487 2.227 10 30 EEEERP C#CCC[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001495415916 1101135578 /nfs/dbraw/zinc/13/55/78/1101135578.db2.gz QWYDFIJIGKJVCB-UHFFFAOYSA-N 2 0 333.520 2.493 10 30 EEEERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001447860164 1103464293 /nfs/dbraw/zinc/46/42/93/1103464293.db2.gz AYVSJAPZLGURMX-LSDHHAIUSA-N 2 0 328.460 2.025 10 30 EEEERP C[C@@H]([NH2+]Cc1cc(F)ccc1C#N)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001447908299 1103569571 /nfs/dbraw/zinc/56/95/71/1103569571.db2.gz SVAUNNLBCZJACL-KGLIPLIRSA-N 2 0 334.439 2.022 10 30 EEEERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC#Cc2ccccc2)C1 ZINC001480739911 1107025556 /nfs/dbraw/zinc/02/55/56/1107025556.db2.gz UDCIEQIUCCKLTQ-FQEVSTJZSA-N 2 0 341.499 2.303 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCC)CC2)CC1 ZINC001502147451 1113616166 /nfs/dbraw/zinc/61/61/66/1113616166.db2.gz JODNXBYOHLOWNZ-IBGZPJMESA-N 2 0 333.520 2.493 10 30 EEEERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001507352124 1115215237 /nfs/dbraw/zinc/21/52/37/1115215237.db2.gz WRQWJJOPIQNQLN-UYAOXDASSA-N 2 0 340.471 2.123 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001507372044 1115230382 /nfs/dbraw/zinc/23/03/82/1115230382.db2.gz DNRMQVHPUWCKNW-QZTJIDSGSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001507372048 1115230728 /nfs/dbraw/zinc/23/07/28/1115230728.db2.gz DNRMQVHPUWCKNW-ZWKOTPCHSA-N 2 0 333.520 2.491 10 30 EEEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001507396267 1115250028 /nfs/dbraw/zinc/25/00/28/1115250028.db2.gz BVPYHCMYVDBRCT-HOCLYGCPSA-N 2 0 333.501 2.321 10 30 EEEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001568285826 1124405098 /nfs/dbraw/zinc/40/50/98/1124405098.db2.gz PISSSKZUBJARHH-HNNXBMFYSA-N 2 0 327.432 2.284 10 30 EEEERP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001568427412 1124495024 /nfs/dbraw/zinc/49/50/24/1124495024.db2.gz UKPDOKQJVWJXLN-YJBOKZPZSA-N 2 0 339.443 2.284 10 30 EEEERP C[NH+]1CCC(C[NH2+]Cc2nc(C#N)cs2)(N2CCCCC2)CC1 ZINC000569972891 319625285 /nfs/dbraw/zinc/62/52/85/319625285.db2.gz NYUNKQKORKTGBU-UHFFFAOYSA-N 2 0 333.505 2.055 10 30 EEEERP CN1CC[NH+]([C@H]2CCCCN(Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000182892023 464750454 /nfs/dbraw/zinc/75/04/54/464750454.db2.gz AECUOBHLEFZEJN-SFHVURJKSA-N 2 0 330.451 2.299 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)C(C)C ZINC000417070006 466770269 /nfs/dbraw/zinc/77/02/69/466770269.db2.gz UZNSLGDADPXDEG-OKZBNKHCSA-N 2 0 334.508 2.078 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594440894 468588816 /nfs/dbraw/zinc/58/88/16/468588816.db2.gz JDFNTOWTIFLPEZ-MSOLQXFVSA-N 2 0 328.460 2.178 10 30 EEEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000594446122 468591121 /nfs/dbraw/zinc/59/11/21/468591121.db2.gz PNSXKGDOTXTEHC-CABCVRRESA-N 2 0 334.489 2.412 10 30 EEEERP CC[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000085146261 528803321 /nfs/dbraw/zinc/80/33/21/528803321.db2.gz REWDIEWUCIUBPV-MRXNPFEDSA-N 2 0 336.524 2.254 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000899963661 693940436 /nfs/dbraw/zinc/94/04/36/693940436.db2.gz FZQBCAKGTRIWLY-GOSISDBHSA-N 2 0 345.487 2.456 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000899981121 693948665 /nfs/dbraw/zinc/94/86/65/693948665.db2.gz MUOIPAJGDYILRB-UHFFFAOYSA-N 2 0 330.476 2.275 10 30 EEEERP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485722820 1191910028 /nfs/dbraw/zinc/91/00/28/1191910028.db2.gz QZUUAUHQYOGWKE-NLWGTHIKSA-N 2 0 341.499 2.253 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266469152 1176595548 /nfs/dbraw/zinc/59/55/48/1176595548.db2.gz GCJLDWOOYNMWAR-MOPGFXCFSA-N 2 0 333.520 2.445 10 30 EEEERP C#CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001691208990 1177707057 /nfs/dbraw/zinc/70/70/57/1177707057.db2.gz NEUWBEBJABWIEY-KRWDZBQOSA-N 2 0 331.504 2.245 10 30 EEEERP C=CCOCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001267012739 1178081428 /nfs/dbraw/zinc/08/14/28/1178081428.db2.gz BZBXEDRJMMTNHO-INIZCTEOSA-N 2 0 337.508 2.033 10 30 EEEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001267182013 1178441783 /nfs/dbraw/zinc/44/17/83/1178441783.db2.gz SGOKTHVRPUCDMJ-OALUTQOASA-N 2 0 333.520 2.491 10 30 EEEERP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001691472684 1178906234 /nfs/dbraw/zinc/90/62/34/1178906234.db2.gz BYNAHVYJIYWZDD-UHOSZYNNSA-N 2 0 327.472 2.187 10 30 EEEERP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001481139908 1179901604 /nfs/dbraw/zinc/90/16/04/1179901604.db2.gz FXTGWCLVGHGCRE-HXUWFJFHSA-N 2 0 341.499 2.351 10 30 EEEERP C#CC[NH2+]CCC1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001267914952 1180756074 /nfs/dbraw/zinc/75/60/74/1180756074.db2.gz SJESEVSNWRHSQD-LJQANCHMSA-N 2 0 337.483 2.050 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268291617 1182177364 /nfs/dbraw/zinc/17/73/64/1182177364.db2.gz ZNTWPINVJDUMFI-OALUTQOASA-N 2 0 327.472 2.260 10 30 EEEERP CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC001481737761 1182452856 /nfs/dbraw/zinc/45/28/56/1182452856.db2.gz CPDNYMDEYWJZOO-LJQANCHMSA-N 2 0 345.462 2.052 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC001481817088 1182734793 /nfs/dbraw/zinc/73/47/93/1182734793.db2.gz SMIQXCZGIVTQRQ-MOPGFXCFSA-N 2 0 342.487 2.417 10 30 EEEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001481999138 1183107284 /nfs/dbraw/zinc/10/72/84/1183107284.db2.gz OWQIRRLQRZAZAR-QGZVFWFLSA-N 2 0 339.911 2.299 10 30 EEEERP C[NH+](C)CCCCC(=O)NCC1([NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001269522217 1184346908 /nfs/dbraw/zinc/34/69/08/1184346908.db2.gz KXHIYTZFFQTRKJ-UHFFFAOYSA-N 2 0 345.462 2.148 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCCC(C)C)CC1 ZINC001270194450 1184912697 /nfs/dbraw/zinc/91/26/97/1184912697.db2.gz SOIHOQLKBWIEKR-IBGZPJMESA-N 2 0 333.520 2.348 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001270663943 1185283609 /nfs/dbraw/zinc/28/36/09/1185283609.db2.gz BMTHGRJVPFXPSL-IRXDYDNUSA-N 2 0 337.508 2.033 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001482367929 1185528219 /nfs/dbraw/zinc/52/82/19/1185528219.db2.gz CINWNEQIXYJSGS-AZUAARDMSA-N 2 0 341.499 2.349 10 30 EEEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001670854620 1187507800 /nfs/dbraw/zinc/50/78/00/1187507800.db2.gz GWPJZWJJPNPZLM-GOSISDBHSA-N 2 0 325.472 2.404 10 30 EEEERP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482842103 1187761847 /nfs/dbraw/zinc/76/18/47/1187761847.db2.gz UXWZTULEPSYDAH-LPHOPBHVSA-N 2 0 342.487 2.417 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](CCF)CC3CC3)CC2)CC1 ZINC001670988955 1193539633 /nfs/dbraw/zinc/53/96/33/1193539633.db2.gz BWGTYNRJIQQWLI-UHFFFAOYSA-N 2 0 349.494 2.004 10 30 EEEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)Cc1ccccc1C#N ZINC001409568335 1190048075 /nfs/dbraw/zinc/04/80/75/1190048075.db2.gz JRSWIRORQFQWMQ-VQIMIIECSA-N 2 0 342.487 2.369 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)Cc2cccc(C)c2)CC1 ZINC001483420469 1190466722 /nfs/dbraw/zinc/46/67/22/1190466722.db2.gz JHJSJXHNIAOYLD-SFHVURJKSA-N 2 0 341.499 2.277 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001272608673 1190917824 /nfs/dbraw/zinc/91/78/24/1190917824.db2.gz SHKLAVWBBYRFPW-IBGZPJMESA-N 2 0 342.487 2.228 10 30 EEEERP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC001272670475 1191008906 /nfs/dbraw/zinc/00/89/06/1191008906.db2.gz RXJWBZIPDQJYRX-UHFFFAOYSA-N 2 0 327.472 2.242 10 30 EEEERP C=CCOCC[NH+]1CCC(C)(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001483977158 1191138783 /nfs/dbraw/zinc/13/87/83/1191138783.db2.gz UUZDSDYPXJEKBT-UHFFFAOYSA-N 2 0 337.508 2.036 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001484522277 1191396965 /nfs/dbraw/zinc/39/69/65/1191396965.db2.gz GFGXADBRKRVCSZ-CVEARBPZSA-N 2 0 327.900 2.442 10 30 EEEERP C[C@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272688931 1191481825 /nfs/dbraw/zinc/48/18/25/1191481825.db2.gz UEESUJLUMUTTJD-QAPCUYQASA-N 2 0 347.890 2.270 10 30 EEEERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001484728309 1191487444 /nfs/dbraw/zinc/48/74/44/1191487444.db2.gz LZXAZHJPYIEZML-IBGZPJMESA-N 2 0 342.487 2.369 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCc2cccs2)CC1 ZINC001485002613 1191607629 /nfs/dbraw/zinc/60/76/29/1191607629.db2.gz CAZYIVVCZYBJEB-INIZCTEOSA-N 2 0 347.528 2.120 10 30 EEEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001691682290 1197488126 /nfs/dbraw/zinc/48/81/26/1197488126.db2.gz HNCGFWFDXVGFMD-MJGOQNOKSA-N 2 0 333.520 2.489 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)CC[NH+]1CCCCC1 ZINC001273203122 1197508218 /nfs/dbraw/zinc/50/82/18/1197508218.db2.gz GZCRMHJYDZYCBF-OAHLLOKOSA-N 2 0 348.516 2.480 10 30 EEEERP C=C(Br)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001410949483 1198615174 /nfs/dbraw/zinc/61/51/74/1198615174.db2.gz FXOQPXGUIKDSNR-ZIAGYGMSSA-N 2 0 346.313 2.110 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000876734360 1199746247 /nfs/dbraw/zinc/74/62/47/1199746247.db2.gz CZRZSZPHAJZJNR-IAGOWNOFSA-N 2 0 335.879 2.485 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000876741333 1199751028 /nfs/dbraw/zinc/75/10/28/1199751028.db2.gz QMUWJAXZAMDKPY-IAGOWNOFSA-N 2 0 335.879 2.137 10 30 EEEERP C#CCC[NH2+]C1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001274398356 1205021421 /nfs/dbraw/zinc/02/14/21/1205021421.db2.gz KWQYWHMHKYMCEB-UHFFFAOYSA-N 2 0 327.472 2.356 10 30 EEEERP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001273765165 1285132561 /nfs/dbraw/zinc/13/25/61/1285132561.db2.gz LWJMMLMNWBZOOO-OALUTQOASA-N 2 0 341.499 2.349 10 30 EEEERP O=C(C#CC1CC[NH2+]CC1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000852858998 1292217794 /nfs/dbraw/zinc/21/77/94/1292217794.db2.gz LDACFACDFJMVPH-FQEVSTJZSA-N 2 0 339.483 2.333 10 30 EEEERP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001276724977 1296942103 /nfs/dbraw/zinc/94/21/03/1296942103.db2.gz CQIVOQKSWUQYBV-LDLYASANSA-N 2 0 333.520 2.367 10 30 EEEERP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCO1 ZINC001276791944 1297752582 /nfs/dbraw/zinc/75/25/82/1297752582.db2.gz YVAIQUNLASNWEM-AEFFLSMTSA-N 2 0 337.508 2.033 10 30 EEEERP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)C1 ZINC001276887164 1300114495 /nfs/dbraw/zinc/11/44/95/1300114495.db2.gz XDPBZKCNHHRYEO-FQEVSTJZSA-N 2 0 331.504 2.363 10 30 EEEERP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001278336025 1309553137 /nfs/dbraw/zinc/55/31/37/1309553137.db2.gz OBPLCLLYGJOQMO-IEBWSBKVSA-N 2 0 337.483 2.004 10 30 EEEERP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001263186430 1322442016 /nfs/dbraw/zinc/44/20/16/1322442016.db2.gz BVCMHRDMDVZPTJ-IRXDYDNUSA-N 2 0 343.471 2.432 10 30 EEEERP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265396276 1323126730 /nfs/dbraw/zinc/12/67/30/1323126730.db2.gz AEGLTLJRHDTAFW-MOPGFXCFSA-N 2 0 333.520 2.443 10 30 EEEERP C=CCOCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001265733953 1323355739 /nfs/dbraw/zinc/35/57/39/1323355739.db2.gz JUSUILBYGFYOTC-ABHNRTSZSA-N 2 0 337.508 2.079 10 30 EEEERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001265813479 1323394832 /nfs/dbraw/zinc/39/48/32/1323394832.db2.gz RURPHAATCXKYEP-AZUAARDMSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001266063654 1323617559 /nfs/dbraw/zinc/61/75/59/1323617559.db2.gz MJCBCNVJVBROSK-RTBURBONSA-N 2 0 341.499 2.445 10 30 EEEERP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001266240902 1323829160 /nfs/dbraw/zinc/82/91/60/1323829160.db2.gz FTUHEOOOCHRYNW-QGZVFWFLSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCC[NH+]1CCCCC1)O2 ZINC001280936897 1324653519 /nfs/dbraw/zinc/65/35/19/1324653519.db2.gz RZBYJOSEDZAEKP-SFHVURJKSA-N 2 0 349.519 2.178 10 30 EEEERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC001276610792 1324776243 /nfs/dbraw/zinc/77/62/43/1324776243.db2.gz DVYNHGHYPOTCCP-PMACEKPBSA-N 2 0 339.483 2.007 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001282773592 1325782209 /nfs/dbraw/zinc/78/22/09/1325782209.db2.gz STEVFMXTBZNCCX-PXNSSMCTSA-N 2 0 349.519 2.129 10 30 EEEERP C=CCCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001282782321 1325785431 /nfs/dbraw/zinc/78/54/31/1325785431.db2.gz RDUVNKBAJFDONS-FQEVSTJZSA-N 2 0 349.519 2.132 10 30 EEEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001316660250 1329881813 /nfs/dbraw/zinc/88/18/13/1329881813.db2.gz LDOKYUAUSLTDGT-AZUAARDMSA-N 2 0 341.499 2.302 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC/C=C\CC)[C@@H]2C)CC1 ZINC001316799850 1331899589 /nfs/dbraw/zinc/89/95/89/1331899589.db2.gz KYOGRZUBSLXWNO-IIFCEKJISA-N 2 0 331.504 2.267 10 30 EEEERP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001317005561 1332041299 /nfs/dbraw/zinc/04/12/99/1332041299.db2.gz GQHULAVFNUKNSF-GOSISDBHSA-N 2 0 331.504 2.247 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001318805945 1332601951 /nfs/dbraw/zinc/60/19/51/1332601951.db2.gz TYFRRHCDSBJBDC-RDJZCZTQSA-N 2 0 339.911 2.299 10 30 EEEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001319942963 1332800087 /nfs/dbraw/zinc/80/00/87/1332800087.db2.gz GEMDFMDXNONJLE-HSALFYBXSA-N 2 0 341.499 2.086 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320420120 1332879250 /nfs/dbraw/zinc/87/92/50/1332879250.db2.gz FFSKUZIXAOJQOD-CKEIUWERSA-N 2 0 346.450 2.022 10 30 EEEERP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001320445214 1332884880 /nfs/dbraw/zinc/88/48/80/1332884880.db2.gz GVZIKKNJXBHVBZ-HNNXBMFYSA-N 2 0 328.460 2.027 10 30 EEEERP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001320445215 1332885199 /nfs/dbraw/zinc/88/51/99/1332885199.db2.gz GVZIKKNJXBHVBZ-OAHLLOKOSA-N 2 0 328.460 2.027 10 30 EEEERP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001321522654 1333118137 /nfs/dbraw/zinc/11/81/37/1333118137.db2.gz QOUKYRDEWNBOQH-IIDMSEBBSA-N 2 0 347.890 2.126 10 30 EEEERP C[N@H+](CC(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1)CC(C)(C)C ZINC001323540456 1333484938 /nfs/dbraw/zinc/48/49/38/1333484938.db2.gz CXQJNLRLGVXXGS-UHFFFAOYSA-N 2 0 341.499 2.254 10 30 EEEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001324440477 1333684291 /nfs/dbraw/zinc/68/42/91/1333684291.db2.gz WXYZKPDQYPDRDG-NVXWUHKLSA-N 2 0 325.472 2.001 10 30 EEEERP C#CC[N@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](CC)CC)cccc2C1 ZINC001326675607 1334140970 /nfs/dbraw/zinc/14/09/70/1334140970.db2.gz QAJFMDXXKAXMIE-FQEVSTJZSA-N 2 0 341.499 2.415 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]CC(=C)Cl)CC1 ZINC001329358233 1334633705 /nfs/dbraw/zinc/63/37/05/1334633705.db2.gz LECDHCYECFGUKY-UHFFFAOYSA-N 2 0 339.911 2.158 10 30 EEEERP C=CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001329922111 1334740620 /nfs/dbraw/zinc/74/06/20/1334740620.db2.gz AFYWRENEXNCAQM-GOSISDBHSA-N 2 0 349.519 2.178 10 30 EEEERP C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1cc(N)cc[nH+]1)C(C)C ZINC001331368124 1335003296 /nfs/dbraw/zinc/00/32/96/1335003296.db2.gz JQMPKTSIAJXSFI-QGZVFWFLSA-N 2 0 331.464 2.162 10 30 EEEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C23CC[NH+](CC2)C3)c(F)c1 ZINC001333479288 1336056554 /nfs/dbraw/zinc/05/65/54/1336056554.db2.gz HWRPMUHBKOGCFI-UHFFFAOYSA-N 2 0 331.435 2.203 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CC=C(Cl)Cl)CC1 ZINC001665887557 1355404764 /nfs/dbraw/zinc/40/47/64/1355404764.db2.gz CMUDAMKKSDCVRA-AWEZNQCLSA-N 2 0 346.302 2.135 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CC=C(Cl)Cl)CC1 ZINC001665887558 1355404241 /nfs/dbraw/zinc/40/42/41/1355404241.db2.gz CMUDAMKKSDCVRA-CQSZACIVSA-N 2 0 346.302 2.135 10 30 EEEERP C[C@H](CCNC(=O)CCC[NH+]1CCCC1)[NH2+]CC#Cc1ccccc1 ZINC001567240671 1342714869 /nfs/dbraw/zinc/71/48/69/1342714869.db2.gz NKPNOZBPENWDJV-LJQANCHMSA-N 2 0 341.499 2.399 10 30 EEEERP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001567746706 1342832390 /nfs/dbraw/zinc/83/23/90/1342832390.db2.gz LMHJSBQFJRVIFI-KRWDZBQOSA-N 2 0 327.488 2.413 10 30 EEEERP C=CCC[NH2+]Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)c(F)c1 ZINC001677644835 1357382603 /nfs/dbraw/zinc/38/26/03/1357382603.db2.gz MVRGRGFERALVRV-HNNXBMFYSA-N 2 0 333.451 2.449 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CC3CCC3)C2)CC1 ZINC001640213889 1352707196 /nfs/dbraw/zinc/70/71/96/1352707196.db2.gz NNAMYZHKFBIMDA-PXNSSMCTSA-N 2 0 345.531 2.206 10 30 EEEERP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001656254550 1354219483 /nfs/dbraw/zinc/21/94/83/1354219483.db2.gz WLIWJPLMBUXEAS-ZWKOTPCHSA-N 2 0 327.472 2.098 10 30 EEEERP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc(C#N)s1 ZINC001660253134 1354426430 /nfs/dbraw/zinc/42/64/30/1354426430.db2.gz GYAXKGXQHDGLAJ-UHFFFAOYSA-N 2 0 348.516 2.432 10 30 EEEERP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001660464733 1354468677 /nfs/dbraw/zinc/46/86/77/1354468677.db2.gz LNAOSERSBOHPIJ-YLJYHZDGSA-N 2 0 345.531 2.491 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2cccc(F)c2)CC1 ZINC001666672801 1355563638 /nfs/dbraw/zinc/56/36/38/1355563638.db2.gz KAGHKTPBOLGQKE-INIZCTEOSA-N 2 0 345.462 2.013 10 30 EEEERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001670091100 1356274109 /nfs/dbraw/zinc/27/41/09/1356274109.db2.gz SEGLPYBYDRXAPD-IBGZPJMESA-N 2 0 342.487 2.369 10 30 EEEERP C#CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1CC[NH+](CCC)CC1 ZINC001671477159 1356346437 /nfs/dbraw/zinc/34/64/37/1356346437.db2.gz IRCSQLMXSMQYFO-QGZVFWFLSA-N 2 0 325.472 2.003 10 30 EEEERP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001672890945 1356608257 /nfs/dbraw/zinc/60/82/57/1356608257.db2.gz QESGSAMXSUVSLD-KRWDZBQOSA-N 2 0 342.487 2.228 10 30 EEEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001672929415 1356617707 /nfs/dbraw/zinc/61/77/07/1356617707.db2.gz HOPWNJCOEQWSJP-UHFFFAOYSA-N 2 0 329.488 2.346 10 30 EEEERP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001675620454 1357016987 /nfs/dbraw/zinc/01/69/87/1357016987.db2.gz BQVXAHXLXQIMRN-MSOLQXFVSA-N 2 0 337.508 2.034 10 30 EEEERP C=CCC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698792016 1405067490 /nfs/dbraw/zinc/06/74/90/1405067490.db2.gz JDKPIRNFNANELY-DLBZAZTESA-N 2 0 339.524 2.136 10 30 EEEERP CC(C)(C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001699292224 1405322853 /nfs/dbraw/zinc/32/28/53/1405322853.db2.gz ONHBLLRPYQIZMB-ONEGZZNKSA-N 2 0 340.471 2.195 10 30 EEEERP C#Cc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)cc1 ZINC000809606608 783221397 /nfs/dbraw/zinc/22/13/97/783221397.db2.gz XTNWJTSHNLYYME-UHFFFAOYSA-N 2 0 334.467 2.495 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000907423412 784619176 /nfs/dbraw/zinc/61/91/76/784619176.db2.gz YBESGVVYUHWYTB-UHFFFAOYSA-N 2 0 346.475 2.332 10 30 EEEERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1F ZINC001566560415 1125735063 /nfs/dbraw/zinc/73/50/63/1125735063.db2.gz LZRMWARHVGAAMG-GOSISDBHSA-N 2 0 346.450 2.120 10 30 EEEERP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)Cc2ccc(C#N)s2)CCC1 ZINC001479775234 1098952727 /nfs/dbraw/zinc/95/27/27/1098952727.db2.gz SFMHMGLZVCUVEQ-UHFFFAOYSA-N 2 0 334.489 2.042 10 30 EEEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480472624 1100280656 /nfs/dbraw/zinc/28/06/56/1100280656.db2.gz QNJZCFQDDDSXQG-YJBOKZPZSA-N 2 0 328.460 2.027 10 30 EEEERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001480481004 1100289429 /nfs/dbraw/zinc/28/94/29/1100289429.db2.gz UZGLLXKUPSNZIN-KBPBESRZSA-N 2 0 334.489 2.088 10 30 EEEERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC001495445759 1101159054 /nfs/dbraw/zinc/15/90/54/1101159054.db2.gz GHOWDCRJNNZLAI-VAMGGRTRSA-N 2 0 339.483 2.149 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001495588226 1101293468 /nfs/dbraw/zinc/29/34/68/1101293468.db2.gz NSRSGGNUFKPHBM-RTBURBONSA-N 2 0 327.472 2.283 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC/C=C\CCC)C2)CC1 ZINC001494633726 1104218085 /nfs/dbraw/zinc/21/80/85/1104218085.db2.gz TVZREGSJVQJIFM-SREVYHEPSA-N 2 0 331.504 2.126 10 30 EEEERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC#Cc2ccccc2)CC[N@@H+]1C ZINC001498550290 1107704646 /nfs/dbraw/zinc/70/46/46/1107704646.db2.gz QMZRORWDMCVLTL-VQTJNVASSA-N 2 0 341.499 2.207 10 30 EEEERP CN(CCC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)CCC[NH+](C)C ZINC001498602713 1107792235 /nfs/dbraw/zinc/79/22/35/1107792235.db2.gz KDJDINRRFDVODS-UHFFFAOYSA-N 2 0 349.906 2.471 10 30 EEEERP C#CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C1CC[NH+](CCC)CC1 ZINC001500054316 1112594872 /nfs/dbraw/zinc/59/48/72/1112594872.db2.gz MGLDXXKFXQPWGW-UHFFFAOYSA-N 2 0 345.531 2.445 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]C/C=C\Cl)CC1 ZINC001505850089 1114232547 /nfs/dbraw/zinc/23/25/47/1114232547.db2.gz KNWGXWPUOOIGIT-TWGQIWQCSA-N 2 0 339.911 2.158 10 30 EEEERP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001506855125 1114919849 /nfs/dbraw/zinc/91/98/49/1114919849.db2.gz HIWVGVAYUVGQNR-KSZLIROESA-N 2 0 345.531 2.489 10 30 EEEERP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001506938241 1114987385 /nfs/dbraw/zinc/98/73/85/1114987385.db2.gz NXVDMPLGIDNUHV-RTBURBONSA-N 2 0 341.499 2.254 10 30 EEEERP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCCC[NH+](C)C ZINC001507294497 1115178353 /nfs/dbraw/zinc/17/83/53/1115178353.db2.gz ZTXPVOZOULJFNI-RHSMWYFYSA-N 2 0 348.516 2.431 10 30 EEEERP C=CCOCC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001568000948 1124224300 /nfs/dbraw/zinc/22/43/00/1124224300.db2.gz MCYFJLBCURYVDN-ZWKOTPCHSA-N 2 0 349.519 2.225 10 30 EEEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001568063831 1124269179 /nfs/dbraw/zinc/26/91/79/1124269179.db2.gz SAOIKWGLBTXLHK-SFHVURJKSA-N 2 0 333.520 2.350 10 30 EEEERP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001569018973 1125044696 /nfs/dbraw/zinc/04/46/96/1125044696.db2.gz ZHSLGYKYXDERBC-QRQLOZEOSA-N 2 0 329.488 2.392 10 30 EEEERP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569169843 1125142373 /nfs/dbraw/zinc/14/23/73/1125142373.db2.gz OVLODHTTWMNTNK-MOPGFXCFSA-N 2 0 331.504 2.006 10 30 EEEERP C=CCOc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000261925879 463901114 /nfs/dbraw/zinc/90/11/14/463901114.db2.gz CEQHKFADAZOZMC-KRWDZBQOSA-N 2 0 331.460 2.071 10 30 EEEERP Cc1nccn1C[C@H]1CCCN1CC(=O)Nc1sccc1C#N ZINC000178750665 463962386 /nfs/dbraw/zinc/96/23/86/463962386.db2.gz YTSLMUYRVDEECI-CQSZACIVSA-N 2 0 329.429 2.228 10 30 EEEERP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366535901 465786794 /nfs/dbraw/zinc/78/67/94/465786794.db2.gz PSAPWWOTWNRTAT-VXLIZBOYSA-N 2 0 346.519 2.333 10 30 EEEERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594436349 468585693 /nfs/dbraw/zinc/58/56/93/468585693.db2.gz DFMZMPSYQAEVCQ-RTBURBONSA-N 2 0 342.487 2.378 10 30 EEEERP Cc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)c(OCC[NH+](C)C)c1 ZINC000594438624 468586436 /nfs/dbraw/zinc/58/64/36/468586436.db2.gz OXCAJYFLZMHPEB-OAHLLOKOSA-N 2 0 332.448 2.285 10 30 EEEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000594439385 468588096 /nfs/dbraw/zinc/58/80/96/468588096.db2.gz VHRNLWZLZSXSEK-MSOLQXFVSA-N 2 0 328.460 2.178 10 30 EEEERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000596655875 469323957 /nfs/dbraw/zinc/32/39/57/469323957.db2.gz YYPFDPGZNSAROP-HNNXBMFYSA-N 2 0 328.460 2.199 10 30 EEEERP C=CC[C@]1(C(=O)NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)CCC[NH2+]1 ZINC000662783784 472249451 /nfs/dbraw/zinc/24/94/51/472249451.db2.gz RLPGGKPPEOOCDG-IMFGXOCKSA-N 2 0 345.462 2.333 10 30 EEEERP CC[NH+](CC)CC1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599266041 485621390 /nfs/dbraw/zinc/62/13/90/485621390.db2.gz LWBNUENKTVUQMI-GOSISDBHSA-N 2 0 337.508 2.112 10 30 EEEERP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CCC[C@]2(CCCOC2)C1 ZINC000262806438 688519401 /nfs/dbraw/zinc/51/94/01/688519401.db2.gz SSKBKVKIACXLSF-IBGZPJMESA-N 2 0 336.524 2.329 10 30 EEEERP C=C(Br)CN1C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001485579556 1191846833 /nfs/dbraw/zinc/84/68/33/1191846833.db2.gz PQGCQICSVDJUMW-ZDUSSCGKSA-N 2 0 346.313 2.063 10 30 EEEERP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001485656119 1191874564 /nfs/dbraw/zinc/87/45/64/1191874564.db2.gz BXILHXIBVUSRGL-IPMKNSEASA-N 2 0 331.504 2.102 10 30 EEEERP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)C1 ZINC001485663002 1191882923 /nfs/dbraw/zinc/88/29/23/1191882923.db2.gz QEBIXRYYMSDNAD-HZPDHXFCSA-N 2 0 328.460 2.404 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CCC)C2CC[NH+](C(C)C)CC2)CC1 ZINC001266392223 1176466307 /nfs/dbraw/zinc/46/63/07/1176466307.db2.gz GHDHGLDFUAUUOI-UHFFFAOYSA-N 2 0 333.520 2.443 10 30 EEEERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001267004771 1178067315 /nfs/dbraw/zinc/06/73/15/1178067315.db2.gz IRLGGDHJRAPJNY-SFHVURJKSA-N 2 0 349.906 2.326 10 30 EEEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001267184740 1178448687 /nfs/dbraw/zinc/44/86/87/1178448687.db2.gz FAAZKROBPPODPY-PKOBYXMFSA-N 2 0 345.531 2.491 10 30 EEEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001267184737 1178448877 /nfs/dbraw/zinc/44/88/77/1178448877.db2.gz FAAZKROBPPODPY-HKUYNNGSSA-N 2 0 345.531 2.491 10 30 EEEERP CC(C)[N@H+](C)CC(=O)NCC[NH+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001481201204 1180096241 /nfs/dbraw/zinc/09/62/41/1180096241.db2.gz WWAGLMXZWJMZMW-UHFFFAOYSA-N 2 0 346.450 2.118 10 30 EEEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001481518725 1181629454 /nfs/dbraw/zinc/62/94/54/1181629454.db2.gz FVVCSKILUFMYIF-GOSISDBHSA-N 2 0 333.520 2.445 10 30 EEEERP C=CCOCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001268171023 1181937121 /nfs/dbraw/zinc/93/71/21/1181937121.db2.gz KSNXRBNBINFNTP-ROUUACIJSA-N 2 0 349.519 2.034 10 30 EEEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001268282179 1182151057 /nfs/dbraw/zinc/15/10/57/1182151057.db2.gz FEAHGZQNNRAGDR-MSOLQXFVSA-N 2 0 333.520 2.396 10 30 EEEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1cc([C@H]2CCCN2C)[nH]n1 ZINC001482055991 1183256931 /nfs/dbraw/zinc/25/69/31/1183256931.db2.gz SDEQPUCRTQNOMK-CRAIPNDOSA-N 2 0 345.491 2.337 10 30 EEEERP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268856410 1183768892 /nfs/dbraw/zinc/76/88/92/1183768892.db2.gz JMHILZLALMNBBW-MOPGFXCFSA-N 2 0 329.488 2.346 10 30 EEEERP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001482199517 1183877970 /nfs/dbraw/zinc/87/79/70/1183877970.db2.gz GKZXLEXCQRBENJ-ROUUACIJSA-N 2 0 337.508 2.034 10 30 EEEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001269621732 1184446835 /nfs/dbraw/zinc/44/68/35/1184446835.db2.gz MZACAMDMKKRQQU-UHFFFAOYSA-N 2 0 343.515 2.341 10 30 EEEERP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001271101890 1185888349 /nfs/dbraw/zinc/88/83/49/1185888349.db2.gz WFBDMIQFRHOBCW-OAHLLOKOSA-N 2 0 343.462 2.061 10 30 EEEERP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001271100696 1185888721 /nfs/dbraw/zinc/88/87/21/1185888721.db2.gz MUORLDCAVFJKDJ-MRXNPFEDSA-N 2 0 343.462 2.368 10 30 EEEERP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485825007 1193464340 /nfs/dbraw/zinc/46/43/40/1193464340.db2.gz WWTRGXXNYCIHEU-RBUKOAKNSA-N 2 0 331.504 2.243 10 30 EEEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001279150891 1187909014 /nfs/dbraw/zinc/90/90/14/1187909014.db2.gz YNPLFGLYRPYBHA-QUCCMNQESA-N 2 0 343.515 2.421 10 30 EEEERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001691656448 1193601521 /nfs/dbraw/zinc/60/15/21/1193601521.db2.gz OZFRPEVOHHRBTH-VQTJNVASSA-N 2 0 341.499 2.254 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C[NH2+]CC=C(C)C)C2CC2)CC1 ZINC001485839383 1193610471 /nfs/dbraw/zinc/61/04/71/1193610471.db2.gz YAWBELCWHZHESJ-IBGZPJMESA-N 2 0 331.504 2.124 10 30 EEEERP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001483388234 1190429808 /nfs/dbraw/zinc/42/98/08/1190429808.db2.gz PFWHFJOQWXYCPK-UHOSZYNNSA-N 2 0 329.488 2.344 10 30 EEEERP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001486124404 1193688681 /nfs/dbraw/zinc/68/86/81/1193688681.db2.gz PCTAUBVIFJOJHC-QFBILLFUSA-N 2 0 327.472 2.007 10 30 EEEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001272650983 1190960209 /nfs/dbraw/zinc/96/02/09/1190960209.db2.gz AVXBCDUDTSXJEP-QGZVFWFLSA-N 2 0 327.472 2.213 10 30 EEEERP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC/C=C/CC)CC1 ZINC001483988529 1191144100 /nfs/dbraw/zinc/14/41/00/1191144100.db2.gz DRXDDJQXLNOPED-AATRIKPKSA-N 2 0 343.515 2.365 10 30 EEEERP C#CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC001484011968 1191154798 /nfs/dbraw/zinc/15/47/98/1191154798.db2.gz FOPZQWUNXALRGX-LJQANCHMSA-N 2 0 331.504 2.006 10 30 EEEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001484123523 1191222911 /nfs/dbraw/zinc/22/29/11/1191222911.db2.gz AYHKZUOAHZWETL-HXUWFJFHSA-N 2 0 327.472 2.213 10 30 EEEERP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484163935 1191251870 /nfs/dbraw/zinc/25/18/70/1191251870.db2.gz QJQHTMPUKLOOKG-LJQANCHMSA-N 2 0 331.504 2.104 10 30 EEEERP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)C[NH+]1CCCC1 ZINC001484768504 1191522935 /nfs/dbraw/zinc/52/29/35/1191522935.db2.gz SERCAAQQTOLHBK-UHFFFAOYSA-N 2 0 346.450 2.073 10 30 EEEERP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CCOCC1 ZINC001484862901 1191554597 /nfs/dbraw/zinc/55/45/97/1191554597.db2.gz UMADUYNNDQDKIO-QGZVFWFLSA-N 2 0 337.508 2.080 10 30 EEEERP C=CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001485442810 1191786861 /nfs/dbraw/zinc/78/68/61/1191786861.db2.gz BJSXDVUCJOZGTP-MJGOQNOKSA-N 2 0 349.519 2.177 10 30 EEEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000876725474 1199741356 /nfs/dbraw/zinc/74/13/56/1199741356.db2.gz JWFBEIWLKFNTSH-MRXNPFEDSA-N 2 0 337.851 2.052 10 30 EEEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000876734362 1199746326 /nfs/dbraw/zinc/74/63/26/1199746326.db2.gz CZRZSZPHAJZJNR-SJORKVTESA-N 2 0 335.879 2.485 10 30 EEEERP CC#CC[NH2+]CC1(NC(=O)[C@H]2CCn3c(C)ncc3C2)CCCCC1 ZINC001276227478 1205843966 /nfs/dbraw/zinc/84/39/66/1205843966.db2.gz UMHIRFHLCKLZGB-KRWDZBQOSA-N 2 0 342.487 2.186 10 30 EEEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267891531 1276774582 /nfs/dbraw/zinc/77/45/82/1276774582.db2.gz QRPKQUCFZSCSJJ-RTBURBONSA-N 2 0 333.520 2.350 10 30 EEEERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852870824 1292223205 /nfs/dbraw/zinc/22/32/05/1292223205.db2.gz GSMKQRHEQFGMII-YLJYHZDGSA-N 2 0 339.483 2.016 10 30 EEEERP C=CC[C@@]1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000852871961 1292223307 /nfs/dbraw/zinc/22/33/07/1292223307.db2.gz GDWKHJOPYBOVSB-IBGZPJMESA-N 2 0 328.460 2.075 10 30 EEEERP C#CC[N@@H+](C[C@H]1C[C@@H](OC)C1)C1CC[NH+](C[C@H]2C[C@@H](OC)C2)CC1 ZINC001119320624 1309047012 /nfs/dbraw/zinc/04/70/12/1309047012.db2.gz VTPYDORZMMHVTO-FMNOTZITSA-N 2 0 334.504 2.236 10 30 EEEERP C=C(Cl)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001264519609 1322722901 /nfs/dbraw/zinc/72/29/01/1322722901.db2.gz ADBGEVYOCJZHJP-HOCLYGCPSA-N 2 0 327.900 2.442 10 30 EEEERP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001264596138 1322745933 /nfs/dbraw/zinc/74/59/33/1322745933.db2.gz JMEZHAKWFUUZEB-QZTJIDSGSA-N 2 0 333.451 2.238 10 30 EEEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001265338796 1323085214 /nfs/dbraw/zinc/08/52/14/1323085214.db2.gz LJTZTCHLKWQDAL-LJQANCHMSA-N 2 0 331.504 2.055 10 30 EEEERP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001266009121 1323561784 /nfs/dbraw/zinc/56/17/84/1323561784.db2.gz NOJYLVLXABTXFZ-PKOBYXMFSA-N 2 0 331.504 2.245 10 30 EEEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001266063652 1323617846 /nfs/dbraw/zinc/61/78/46/1323617846.db2.gz MJCBCNVJVBROSK-OALUTQOASA-N 2 0 341.499 2.445 10 30 EEEERP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001279631446 1323965504 /nfs/dbraw/zinc/96/55/04/1323965504.db2.gz WAJYTNLZDYVFFU-RBUKOAKNSA-N 2 0 331.504 2.199 10 30 EEEERP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001281073088 1324753635 /nfs/dbraw/zinc/75/36/35/1324753635.db2.gz UMRDHSYELZJQJG-YLJYHZDGSA-N 2 0 341.499 2.447 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001281967521 1325542293 /nfs/dbraw/zinc/54/22/93/1325542293.db2.gz HUNDBVNCUGAQRX-OALUTQOASA-N 2 0 333.520 2.443 10 30 EEEERP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001282614668 1325752108 /nfs/dbraw/zinc/75/21/08/1325752108.db2.gz FFJWAFKQXKAEGT-QZTJIDSGSA-N 2 0 331.504 2.435 10 30 EEEERP C[C@H]1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)CN1C(=O)CCC[NH+](C)C ZINC001284005008 1326359185 /nfs/dbraw/zinc/35/91/85/1326359185.db2.gz VBRPWGMZDNOXJG-LPHOPBHVSA-N 2 0 345.462 2.098 10 30 EEEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001316636671 1326824603 /nfs/dbraw/zinc/82/46/03/1326824603.db2.gz QPBRSLQLQLFOSY-AFYVEPGGSA-N 2 0 341.499 2.392 10 30 EEEERP C=CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C(F)(F)F ZINC001316726570 1331842339 /nfs/dbraw/zinc/84/23/39/1331842339.db2.gz GQUQJDFMZKSSHB-UONOGXRCSA-N 2 0 347.425 2.273 10 30 EEEERP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001317007813 1332042427 /nfs/dbraw/zinc/04/24/27/1332042427.db2.gz RMFNVCZCURATIH-QZTJIDSGSA-N 2 0 331.504 2.101 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001317369202 1332198623 /nfs/dbraw/zinc/19/86/23/1332198623.db2.gz WOXLRZLXSWIYTK-WOJBJXKFSA-N 2 0 339.483 2.085 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CCCC=C)C2)CC1 ZINC001317383759 1332208807 /nfs/dbraw/zinc/20/88/07/1332208807.db2.gz HEFYGWDCQMPPMX-IBGZPJMESA-N 2 0 331.504 2.221 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCC=C)c2ccccc2)CC1 ZINC001317729975 1332391491 /nfs/dbraw/zinc/39/14/91/1332391491.db2.gz ZDDAQZIWBCRYKB-FQEVSTJZSA-N 2 0 339.483 2.355 10 30 EEEERP CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001319206399 1332665075 /nfs/dbraw/zinc/66/50/75/1332665075.db2.gz DKNVRXNCZRCBEW-CRAIPNDOSA-N 2 0 349.906 2.374 10 30 EEEERP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001319869475 1332789307 /nfs/dbraw/zinc/78/93/07/1332789307.db2.gz OITZDEYMEANSFV-MOPGFXCFSA-N 2 0 333.520 2.493 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(CF)cc1 ZINC001320756450 1332946443 /nfs/dbraw/zinc/94/64/43/1332946443.db2.gz YSNPWEDBOSHORR-IBGZPJMESA-N 2 0 345.462 2.192 10 30 EEEERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001323164656 1333401226 /nfs/dbraw/zinc/40/12/26/1333401226.db2.gz XHIAXKXUYLDUQO-VQTJNVASSA-N 2 0 341.499 2.207 10 30 EEEERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001323164657 1333401329 /nfs/dbraw/zinc/40/13/29/1333401329.db2.gz XHIAXKXUYLDUQO-WOJBJXKFSA-N 2 0 341.499 2.207 10 30 EEEERP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001325630242 1333928166 /nfs/dbraw/zinc/92/81/66/1333928166.db2.gz UFEOLCQUEOHREL-AKHDSKFASA-N 2 0 331.504 2.243 10 30 EEEERP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001325915064 1333993032 /nfs/dbraw/zinc/99/30/32/1333993032.db2.gz CFWUXWZRNLTEJC-MOPGFXCFSA-N 2 0 331.504 2.341 10 30 EEEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]C/C=C\Cl)C(C)C ZINC001329741654 1334706099 /nfs/dbraw/zinc/70/60/99/1334706099.db2.gz JDOHTUDWUNQTLZ-XKJZPFPASA-N 2 0 339.911 2.299 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N(CC[N@H+](C)CCC(=C)C)C(C)C)CC1 ZINC001332740254 1335895959 /nfs/dbraw/zinc/89/59/59/1335895959.db2.gz GIEZFKDWMKSIDS-UHFFFAOYSA-N 2 0 333.520 2.467 10 30 EEEERP C#CC[NH2+]CCc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC001567183936 1342706622 /nfs/dbraw/zinc/70/66/22/1342706622.db2.gz VIQKBJJIXZDPLX-UHFFFAOYSA-N 2 0 349.478 2.444 10 30 EEEERP CC#CC[N@H+](C)CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001677215654 1357295892 /nfs/dbraw/zinc/29/58/92/1357295892.db2.gz VIEWUHMNVFAAAY-UHFFFAOYSA-N 2 0 333.520 2.301 10 30 EEEERP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001677346203 1357317589 /nfs/dbraw/zinc/31/75/89/1357317589.db2.gz COFIULTTXLYHGG-MJGOQNOKSA-N 2 0 333.520 2.347 10 30 EEEERP C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCC)CC1 ZINC001649464500 1353519800 /nfs/dbraw/zinc/51/98/00/1353519800.db2.gz QWWRMQKTZGFAAO-KDURUIRLSA-N 2 0 349.519 2.129 10 30 EEEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001661213493 1354608822 /nfs/dbraw/zinc/60/88/22/1354608822.db2.gz SNTCWTYDGXJMRY-HKUYNNGSSA-N 2 0 333.520 2.465 10 30 EEEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001661235064 1354614381 /nfs/dbraw/zinc/61/43/81/1354614381.db2.gz DBXUFRCFSDFSSP-OALUTQOASA-N 2 0 333.520 2.301 10 30 EEEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)Cc2ccc(C)cc2)CC1 ZINC001663461439 1354965058 /nfs/dbraw/zinc/96/50/58/1354965058.db2.gz MAGWBIVYOVKPBL-UHFFFAOYSA-N 2 0 341.499 2.278 10 30 EEEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001666172538 1355474878 /nfs/dbraw/zinc/47/48/78/1355474878.db2.gz IUMBFWQGYKPNFM-QGZVFWFLSA-N 2 0 327.472 2.213 10 30 EEEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C(C)C)C2CCCCC2)CC1 ZINC001667151504 1355658291 /nfs/dbraw/zinc/65/82/91/1355658291.db2.gz NCGWIWPAGQDKOS-LJQANCHMSA-N 2 0 333.520 2.395 10 30 EEEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001667750907 1355806043 /nfs/dbraw/zinc/80/60/43/1355806043.db2.gz FLTJQMHMIBJDJT-PMACEKPBSA-N 2 0 341.499 2.302 10 30 EEEERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccccc1C#N ZINC001670357945 1356326851 /nfs/dbraw/zinc/32/68/51/1356326851.db2.gz WYZPGSPNKYSXBA-LJQANCHMSA-N 2 0 342.487 2.371 10 30 EEEERP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001671504355 1356352774 /nfs/dbraw/zinc/35/27/74/1356352774.db2.gz YPRNYVRNKHZZPE-UHFFFAOYSA-N 2 0 341.499 2.455 10 30 EEEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001672447221 1356524614 /nfs/dbraw/zinc/52/46/14/1356524614.db2.gz JDTCIFBTBKAEDZ-OTWHNJEPSA-N 2 0 333.520 2.463 10 30 EEEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001699551318 1405387599 /nfs/dbraw/zinc/38/75/99/1405387599.db2.gz OLWQTVQQROUMOO-CALCHBBNSA-N 2 0 342.487 2.369 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000911921439 787808190 /nfs/dbraw/zinc/80/81/90/787808190.db2.gz JHDLKDUNEVYCBD-UHFFFAOYSA-N 2 0 340.471 2.147 10 30 EEEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000913772069 794254464 /nfs/dbraw/zinc/25/44/64/794254464.db2.gz UICRHKZAJVOMGZ-UHFFFAOYSA-N 2 0 348.466 2.414 10 30 EEEERP C#CCN(C(=O)NCC1([NH+](C)C)CCCCCC1)C1CC[NH+](C)CC1 ZINC000913913671 794550171 /nfs/dbraw/zinc/55/01/71/794550171.db2.gz BHGPRMUMFSGTQY-UHFFFAOYSA-N 2 0 348.535 2.380 10 30 EEEERP C#CC[NH+]1CCC(NC(=O)NC[C@H]([NH2+][C@H](C)CC)c2ccco2)CC1 ZINC000922424244 801025844 /nfs/dbraw/zinc/02/58/44/801025844.db2.gz MLCBTLRSMDMHRT-WBVHZDCISA-N 2 0 346.475 2.106 10 30 EEEERP